SCHEMBL566283

SCHEMBL566283

Ic1ccc2c(c1)CCCN2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA2A P08913 1/20 0.44

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
SCHEMBL177194 0.88 DRD2 (0.59) MAPTKDM4ECA12CA1CA2
SCHEMBL21760177 0.84 ADRA2A (0.44) MAPTKDM4ECA12CA1CA2
SCHEMBL30487745 0.84 ADRA2A (0.44) MAPTKDM4ECA12CA1CA2
SCHEMBL1091532 0.76 MAPT (0.54) MAPTKDM4ECA12CA1CA2
SCHEMBL379224 0.76 CA9 (0.57) MAPTKDM4ECA12CA1CA2
SCHEMBL532839 0.76 DRD2 (0.78) MAPTKDM4ECA12CA1CA2
SCHEMBL1556861 0.76 MAPT (0.54) MAPTKDM4ECA12CA1CA2
SCHEMBL531817 0.76 MAPT (0.54) MAPTKDM4ECA12CA1CA2
SCHEMBL29722558 0.76 DRD2 (0.78) MAPTKDM4ECA12CA1CA2
SCHEMBL5539388 0.76 MAPT (0.54) MAPTKDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 EP disclosed
US-11401256-B2 Dihydroquinolinones for medical treatment C4 THERAPEUTICS, INC. (US) 2022-08-02 US disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 WO disclosed
EP-3686199-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-07-29 EP disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 EP disclosed
WO-2019183364-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2018039467-A1 INHIBITORS OF-BCR-ABL MUTANTS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-01 WO disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 MAPT 4146/4885KDM4E 1701/4885CA12 4777/4885
US-11401256-B2 Dihydroquinolinones for medical treatment CRBN, RBX1, ADRM1 MAPT 2439/4885KDM4E 1168/4885CA12 3594/4885

“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.