SCHEMBL12680945

SCHEMBL12680945

Cc1nc2c(s1)CN(C(=O)Cc1ccccc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
GRM5 P41594 14/20 0.55
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
KMT2A Q03164 2/20 0.48
HSD11B1 P28845 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3820812 0.82 DHFR (0.54) NPC1RAB9AGRM5KMT2AALDH1A1
SCHEMBL12680944 0.81 GRM5 (0.60) NPC1RAB9AGRM5GAA
SCHEMBL15492431 0.80 NPC1 (0.63) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL16286087 0.80 DPP4 (0.52) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL13195580 0.79 DPP4 (0.51) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL3540371 0.79 ALDH1A1 (0.51) NPC1RAB9AGRM5KMT2AKDM4E
SCHEMBL30717323 0.77 RAB9A (0.49) NPC1RAB9AGRM5KMT2AKDM4E
SCHEMBL15490041 0.77 DPP8 (0.57) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL13494234 0.77 DPP4 (0.49) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL13494214 0.77 DPP4 (0.49) NPC1RAB9AGRM5DPP4DPP8

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 3 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-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

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 NPC1 1830/4885RAB9A 1636/4885GRM5 429/4885

“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.