SCHEMBL9922402

SCHEMBL9922402

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NCc4ccc(Cl)s4)c(OC)n3)c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 4/20 0.40
P2RY12 Q9H244 1/20 0.38
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
MAPK1 P28482 3/20 0.32
HSP90AA1 P07900 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
SCHEMBL12177308 0.93 EGLN3 (0.36) EGLN3P2RY12CA12CA9MEN1
SCHEMBL14200892 0.87 P2RY12 (0.42) EGLN3P2RY12CA12CA9MEN1
SCHEMBL9923177 0.85 P2RY12 (0.55) EGLN3P2RY12MEN1KMT2ASMN1; SMN2
SCHEMBL13638521 0.83 ERCC1 (0.35) EGLN3P2RY12CA12CA9MEN1
SCHEMBL9923014 0.81 P2RY12 (0.40) EGLN3P2RY12CA12CA9MEN1
SCHEMBL9922537 0.81 P2RY12 (0.45) EGLN3P2RY12MEN1KMT2AERCC1
SCHEMBL12161657 0.81 P2RY12 (0.46) EGLN3P2RY12MEN1KMT2A
SCHEMBL12177357 0.80 P2RY12 (0.46) EGLN3P2RY12
SCHEMBL9923012 0.79 P2RY12 (0.45) EGLN3P2RY12CA12CA9TP53
SCHEMBL14228582 0.79 RXFP1 (0.38) P2RY12CA12CA9MEN1KMT2A

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 7 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-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
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 EGLN3 1976/4885P2RY12 19/4885CA12 4625/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 EGLN3 1988/4885P2RY12 18/4885CA12 4616/4885

“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.