SCHEMBL9922981

SCHEMBL9922981

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4cccs4)c(OC)n3)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
BRAF P15056 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CCR4 P51679 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
FBP1 P09467 1/20 0.32
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 2/20 0.32
USP8 P40818 2/20 0.32
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32

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
SCHEMBL13638377 0.88 P2RY12 (0.42) P2RY12FBP1ERCC1FEN1ERCC4
SCHEMBL9923177 0.88 P2RY12 (0.55) P2RY12PIK3CAMTORPOLBCCR4
SCHEMBL12161657 0.87 P2RY12 (0.46) P2RY12CCR4MEN1KMT2AFBP1
SCHEMBL9922537 0.87 P2RY12 (0.45) P2RY12MEN1KMT2AFBP1ERCC1
SCHEMBL12177357 0.86 P2RY12 (0.46) P2RY12FBP1EGLN3
SCHEMBL9922988 0.80 P2RY12 (0.44) P2RY12BRAFPOLBKDM4EMEN1
SCHEMBL9922984 0.80 P2RY12 (0.48) P2RY12BRAFPOLBKDM4EMEN1
SCHEMBL12177308 0.79 EGLN3 (0.36) P2RY12MEN1KMT2AMAPTMAPK1
SCHEMBL9922989 0.78 P2RY12 (0.48) P2RY12POLBKDM4EMEN1KMT2A
SCHEMBL9922991 0.78 P2RY12 (0.51) P2RY12POLBMEN1KMT2AMAPT

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-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
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 19/4885BRAF 3145/4885PIK3CA 580/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885BRAF 3106/4885PIK3CA 580/4885

“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.