SCHEMBL9922989

SCHEMBL9922989

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)nn3)c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
USP8 P40818 2/20 0.35
ERCC1 P07992 2/20 0.35
FEN1 P39748 2/20 0.35
ERCC4 Q92889 2/20 0.35
BRD4 O60885 3/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 5/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
LMNA P02545 5/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL9922988 0.88 P2RY12 (0.44) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL9923172 0.88 P2RY12 (0.62) P2RY12ERCC1FEN1ERCC4MAPT
SCHEMBL13638707 0.88 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL9922541 0.86 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4
SCHEMBL12161655 0.86 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4
SCHEMBL14228361 0.85 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4
SCHEMBL9922991 0.84 P2RY12 (0.51) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL9922532 0.84 P2RY12 (0.47) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL9922982 0.83 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL9922984 0.83 P2RY12 (0.48) P2RY12ERCC1FEN1ERCC4BRD4

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 19/4885USP8 2922/4885ERCC1 4645/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885USP8 2945/4885ERCC1 4644/4885

“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.