SCHEMBL9919009

SCHEMBL9919009

Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.66
CA12 O43570 2/20 0.66
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
CMA1 P23946 1/20 0.56
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
PABPC1 P11940 1/20 0.51
KMT2A Q03164 1/20 0.51
HAVCR2 Q8TDQ0 1/20 0.51
PARP1 P09874 1/20 0.50
MPO P05164 1/20 0.49
XDH P47989 1/20 0.49
TSHR P16473 1/20 0.49
DAO P14920 1/20 0.49

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
SCHEMBL9919007 0.86 CA9 (0.66) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL30581043 0.81 ADORA3 (0.61) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL3376884 0.81 ADORA3 (0.61) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL9919004 0.81 ADORA3 (0.61) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL12928421 0.79 ADORA3 (0.59) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL22341565 0.79 CA9 (1.00) CA9CA12CMA1DAO
SCHEMBL29933887 0.79 CA9 (1.00) CA9CA12CMA1DAO
SCHEMBL709045 0.79 FEN1 (0.66) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL9923021 0.79 ADORA3 (0.59) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL6406738 0.79 CA9 (0.66) CA9CA12CMA1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (4 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 CA9 1968/4885CA12 4625/4885ADORA3 88/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 CA9 1451/4885CA12 4701/4885ADORA3 32/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CA9 1974/4885CA12 4616/4885ADORA3 83/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 CA9 3067/4885CA12 4661/4885ADORA3 20/4885

“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.