SCHEMBL9919007

SCHEMBL9919007

Cn1c(=O)[nH]c2ccc(Cl)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

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
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
PGR P06401 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50

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
SCHEMBL9919009 0.86 CA9 (0.66) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL8215674 0.81 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL31393212 0.80 CA9 (0.62) CA9CA12LMNACYP1A2GAA
SCHEMBL6309992 0.80 CA9 (0.62) CA9CA12LMNACYP1A2GAA
SCHEMBL6401721 0.79 CA9 (0.66) CA9CA12LMNACYP1A2GAA
SCHEMBL5712368 0.79 ADORA3 (0.59) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL9919006 0.79 FEN1 (0.66) ADORA3ADORA2AADORA2BADORA1GAA
SCHEMBL5355203 0.79 CA12 (0.66) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL9923029 0.79 ADORA3 (0.59) CA9CA12ADORA3ADORA2AADORA2B
SCHEMBL9919008 0.79 ADORA3 (0.64) CA9CA12ADORA3ADORA2AADORA2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed
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-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
EP-2314593-A1 Platelet ADP receptor inhibitors Portola Pharmaceuticals, Inc. (US) 2011-04-27 EP 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
EP-0226282-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE A/S FERROSAN (DK) 1989-07-05 EP disclosed
US-4780539-A ANTICONVULSANTS, ANXIOLYTIC AGENTS A/S FERROSAN (DK) 1988-10-25 US disclosed
US-4771051-A CENTRAL NERVOUS SYSTEM DISORDERS A/S FERROSAN (DK) 1988-09-13 US disclosed
EP-0274009-A1 Oxadiazolylacetonitriles, their preparation and use NOVO NORDISK A/S (DK) 1988-07-13 EP disclosed
EP-0226282-A2 Heterocyclic compounds and their preparation and use A/S FERROSAN (DK) 1987-06-24 EP 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.