SCHEMBL9923210

SCHEMBL9923210

CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)c(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPD P32754 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.34
ALDH1A1 P00352 1/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL13638586 0.94 P2RY12 (0.40) P2RY12NOD1GLAMEN1KMT2A
SCHEMBL9923213 0.93 P2RY12 (0.49) P2RY12NOD1GLAMEN1KMT2A
SCHEMBL14113579 0.91 P2RY12 (0.39) P2RY12NOD1GLAMEN1KMT2A
SCHEMBL13638561 0.89 KCNH2 (0.41) P2RY12NOD1GLA
SCHEMBL12177329 0.89 P2RY12 (0.41) P2RY12NOD1GLAMEN1KMT2A
SCHEMBL12177247 0.89 GLA (0.52) P2RY12NOD1GLAHPDL3MBTL1
SCHEMBL9923240 0.88 P2RY12 (0.48) P2RY12NOD1GLAMEN1KMT2A
SCHEMBL9922360 0.88 P2RY12 (0.45) P2RY12NOD1PPARGTP53
SCHEMBL12177370 0.88 HRH3 (0.41) P2RY12
SCHEMBL13638710 0.88 P2RY12 (0.40) P2RY12NOD1GLAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885NOD1 246/4885GLA 2338/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885NOD1 233/4885GLA 2359/4885

“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.