SCHEMBL396326

SCHEMBL396326

Cc1cc2ncccc2cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
ALDH1A1 P00352 7/20 0.53
NR4A2 P43354 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DOT1L Q8TEK3 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP1 P29466 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 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
SCHEMBL3587114 0.92 CASP6 (0.62) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL31186675 0.84 ALDH1A1 (0.61) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL8404544 0.84 ALDH1A1 (0.61) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL1750620 0.84 CASP6 (0.71) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL19261842 0.77 ALDH1A1 (0.53) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL5545370 0.77 ALDH1A1 (0.53) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL3587363 0.77 ALDH1A1 (0.53) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL22659050 0.77 CASP6 (0.58) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL246244 0.77 ALDH1A1 (0.53) CASP6ALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL3344562 0.77 CASP6 (0.62) CASP6ALDH1A1NR4A2PDGFRBPDGFRA

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
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
WO-2021057890-A1 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS 南京明德新药研发有限公司 2021-04-01 WO disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP 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 (5 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A CASP6 1329/4885ALDH1A1 559/4885NR4A2 2780/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CASP6 713/4885ALDH1A1 3941/4885NR4A2 1300/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CASP6 713/4885ALDH1A1 3941/4885NR4A2 1300/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A CASP6 2734/4885ALDH1A1 1140/4885NR4A2 2265/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 CASP6 713/4885ALDH1A1 3941/4885NR4A2 1300/4885

“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.