SCHEMBL17031836

SCHEMBL17031836

CC(C)(C)c1c(O)nc2sccn12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.42
DYRK1A Q13627 1/20 0.40
SSTR4 P31391 1/20 0.40
IDO1 P14902 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12996125 0.80 ALOX12 (0.43) ALOX12DYRK1ASSTR4IDO1TDP1
SCHEMBL9607546 0.80 ALOX12 (0.56) ALOX12DYRK1ASSTR4IDO1TDP1
SCHEMBL12203138 0.79 DYRK1A (0.51) ALOX12DYRK1ASSTR4IDO1TDP1
SCHEMBL17033304 0.76 ALOX12 (0.50) ALOX12DYRK1ATDP1CYP1A2KDM4E
SCHEMBL17039300 0.71 DYRK1A (0.51) ALOX12DYRK1ATDP1CYP1A2KDM4E
SCHEMBL22340027 0.70 MAPK8 (0.58) DYRK1AIDO1MAPK1GAAMAPT
SCHEMBL16252862 0.70 SSTR4 (0.50) ALOX12DYRK1ASSTR4IDO1TDP1
SCHEMBL20878604 0.66 DYRK1A (0.45) ALOX12DYRK1AIDO1TDP1CYP1A2
SCHEMBL17554526 0.64 ALOX12 (0.59) ALOX12DYRK1ATDP1CYP1A2MAPK1
SCHEMBL23429365 0.63 SALL4 (0.39) KDM4EMAPK1ALDH1A1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 US disclosed
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-24 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (19 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ALOX12 261/4885DYRK1A 4649/4885SSTR4 4654/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI ALOX12 76/4885DYRK1A 4471/4885SSTR4 1711/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ALOX12 173/4885DYRK1A 4589/4885SSTR4 2848/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH ALOX12 370/4885DYRK1A 4826/4885SSTR4 3296/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ALOX12 76/4885DYRK1A 4471/4885SSTR4 1711/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ALOX12 374/4885DYRK1A 4766/4885SSTR4 4258/4885
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 ALOX12 137/4885DYRK1A 3853/4885SSTR4 3019/4885
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 ALOX12 164/4885DYRK1A 3870/4885SSTR4 2748/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 ALOX12 164/4885DYRK1A 3870/4885SSTR4 2748/4885
US-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH ALOX12 370/4885DYRK1A 4826/4885SSTR4 3296/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP ALOX12 183/4885DYRK1A 4330/4885SSTR4 3642/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ALOX12 235/4885DYRK1A 4035/4885SSTR4 1891/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 ALOX12 125/4885DYRK1A 4542/4885SSTR4 3742/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 ALOX12 160/4885DYRK1A 4787/4885SSTR4 2229/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 ALOX12 164/4885DYRK1A 3870/4885SSTR4 2748/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ALOX12 160/4885DYRK1A 4787/4885SSTR4 2229/4885
US-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 ALOX12 164/4885DYRK1A 3870/4885SSTR4 2748/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP ALOX12 183/4885DYRK1A 4330/4885SSTR4 3642/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 ALOX12 164/4885DYRK1A 3870/4885SSTR4 2748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.