SCHEMBL3217902

SCHEMBL3217902

CC(=O)c1c[nH]c2cnccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.64
PBRM1 Q86U86 1/20 0.59
DYRK1A Q13627 8/20 0.49
GSK3B P49841 3/20 0.49
NFATC1 O95644 3/20 0.49
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CDK2 P24941 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRPF1 P55201 1/20 0.42
CPT1A P50416 1/20 0.42
NTRK1 P04629 1/20 0.41
LMNA P02545 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL30924488 1.00 HASPIN (0.64) HASPINPBRM1DYRK1AGSK3BNFATC1
SCHEMBL12481581 0.86 HASPIN (0.64) HASPINPBRM1CYP2C19KDM4EHSD17B10
SCHEMBL2052704 0.86 DYRK1A (0.51) HASPINDYRK1AGSK3BNFATC1CYP2D6
SCHEMBL30101234 0.86 DYRK1A (0.51) HASPINDYRK1AGSK3BNFATC1CYP2D6
SCHEMBL4357845 0.83 ALDH1A1 (0.59) HASPINDYRK1AGSK3BNFATC1CYP2D6
SCHEMBL22300127 0.83 DYRK1A (0.49) HASPINDYRK1AGSK3BNFATC1CYP2D6
SCHEMBL12480579 0.82 CPT1A (0.48) HASPINDYRK1AGSK3BNFATC1CYP2D6
SCHEMBL1607800 0.82 NR4A2 (0.62) HASPINDYRK1AGSK3BKDM4ECPT1A
SCHEMBL31753965 0.82 NR4A2 (0.62) HASPINDYRK1AGSK3BKDM4ECPT1A
SCHEMBL2628950 0.81 CYP2D6 (0.48) HASPINDYRK1AGSK3BNFATC1CYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO 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 (2 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-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 HASPIN 444/4885PBRM1 4529/4885DYRK1A 4409/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HASPIN 4051/4885PBRM1 2727/4885DYRK1A 3842/4885

“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.