SCHEMBL12680943

SCHEMBL12680943

Cc1nc2c(s1)CN(Cc1ccccc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 4/20 0.60
KDM4E B2RXH2 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.54
GRM5 P41594 3/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
C5AR1 P21730 1/20 0.49
DHFR P00374 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
LIMK1 P53667 1/20 0.46
ADORA1 P30542 2/20 0.46

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
SCHEMBL17934007 0.83 RAD52 (0.61) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL21451972 0.83 SMN1; SMN2 (0.46) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL16129355 0.79 ALDH1A1 (0.61) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL16129354 0.79 ALDH1A1 (0.53) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL12199721 0.79 RAB9A (0.53) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL6369558 0.77 RAD52 (0.69) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL12680945 0.76 NPC1 (0.61) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL12680948 0.76 NPC1 (0.63) RAB9AGAAKMT2ANPC1MEN1
SCHEMBL3536301 0.75 GAA (0.69) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL13344485 0.75 ALDH1A1 (0.49) RAB9AALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 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 (1 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 RAB9A 1636/4885ALDH1A1 2158/4885GAA 2336/4885

“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.