SCHEMBL9911202

SCHEMBL9911202

CCc1cccc2c1CCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
NUDT1 P36639 3/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5542232 0.89 NOTUM (0.44) TAAR1GABRA1GABRB2BRD4
SCHEMBL22048917 0.86 HTR2B (0.40) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL3502666 0.82 CHRNE (0.41) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL28131324 0.82 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL19772860 0.81 GABRA1 (0.42) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL19386410 0.81 DRD2 (0.36) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL20571731 0.81 HTR2C (0.41) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL27403058 0.81 LIPG (0.41) DRD2
SCHEMBL10878713 0.80 AKR1B1 (0.41) GRIA1GRIA2GRIA3GRIA4DRD2
SCHEMBL20571925 0.79 NUDT1 (0.40) GRIA1GRIA2GRIA3GRIA4NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 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 (9 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 GRIA1 364/4885GRIA2 758/4885GRIA3 726/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 GRIA1 789/4885GRIA2 1208/4885GRIA3 1045/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 GRIA1 1341/4885GRIA2 329/4885GRIA3 1009/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 GRIA1 1746/4885GRIA2 2660/4885GRIA3 994/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 GRIA1 945/4885GRIA2 1347/4885GRIA3 1103/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885

“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.