SCHEMBL9922987

SCHEMBL9922987

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)c(OC)n3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.42
FBP1 P09467 1/20 0.39
PIK3CA P42336 5/20 0.37
MTOR P42345 3/20 0.37
CCR5 P51681 2/20 0.37
CCR4 P51679 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL13638634 0.93 P2RY12 (0.34) P2RY12FBP1PIK3CAMTORMEN1
SCHEMBL9923274 0.89 P2RY12 (0.41) P2RY12FBP1PIK3CAMTORCCR5
SCHEMBL9923177 0.83 P2RY12 (0.55) P2RY12FBP1PIK3CAMTORCCR5
SCHEMBL9922690 0.83 P2RY12 (0.46) P2RY12FBP1CCR5CCR4MEN1
SCHEMBL12177246 0.82 PIK3CA (0.34) P2RY12FBP1PIK3CAMTORMEN1
SCHEMBL9922994 0.81 P2RY12 (0.43) P2RY12FBP1MEN1KMT2APABPC1
SCHEMBL9920086 0.81 P2RY12 (0.54) P2RY12FBP1MEN1KMT2ASMN1; SMN2
SCHEMBL9922996 0.80 P2RY12 (0.44) P2RY12FBP1MEN1KMT2APABPC1
SCHEMBL9922997 0.79 P2RY12 (0.48) P2RY12FBP1MEN1KMT2APABPC1
SCHEMBL14228648 0.79 P2RY12 (0.44) P2RY12FBP1MEN1KMT2APABPC1

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 9 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-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 19/4885FBP1 1584/4885PIK3CA 580/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885FBP1 1579/4885PIK3CA 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.