SCHEMBL9922113

SCHEMBL9922113

CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.42
FBP1 P09467 1/20 0.42
P2RY12 Q9H244 1/20 0.41
CSF1R P07333 14/20 0.39
AURKB Q96GD4 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL9922708 0.90 P2RY12 (0.47) FBP1P2RY12CSF1RAURKBMAPT
SCHEMBL9922303 0.89 P2RY12 (0.46) ORAI1FBP1P2RY12CSF1RMAPT
SCHEMBL9922549 0.89 FBP1 (0.45) FBP1P2RY12MAPTMEN1PABPC1
SCHEMBL9922165 0.88 P2RY12 (0.42) FBP1P2RY12CSF1RAURKBMAPT
SCHEMBL9922916 0.87 FBP1 (0.42) FBP1P2RY12MAPTMEN1PABPC1
SCHEMBL9922552 0.87 FBP1 (0.42) FBP1P2RY12CSF1RMAPTMEN1
SCHEMBL9922491 0.87 FBP1 (0.42) ORAI1FBP1P2RY12CSF1RMAPT
SCHEMBL12161374 0.87 P2RY12 (0.40) FBP1P2RY12KMT2A
SCHEMBL9923182 0.87 P2RY12 (0.46) FBP1P2RY12CSF1RAURKBMAPT
SCHEMBL9922536 0.86 P2RY12 (0.42) FBP1P2RY12MAPTMEN1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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-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-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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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
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 (3 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 ORAI1 2207/4885FBP1 1584/4885P2RY12 19/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 ORAI1 2346/4885FBP1 3837/4885P2RY12 89/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ORAI1 2174/4885FBP1 1579/4885P2RY12 18/4885

“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.