SCHEMBL9919006

SCHEMBL9919006

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 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
MPO P05164 7/20 0.54
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
PARG Q86W56 1/20 0.49
XDH P47989 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DAO P14920 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
BRD4 O60885 1/20 0.47
GHSR Q92847 1/20 0.44

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
SCHEMBL709045 0.86 FEN1 (0.66) FEN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8215674 0.81 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL9923029 0.79 ADORA3 (0.59) FEN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL31709875 0.79 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL18670476 0.79 FEN1 (1.00) FEN1MPOKEAP1NFE2L2XDH
SCHEMBL5355203 0.79 CA12 (0.66) FEN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL9919007 0.79 CA9 (0.66) ADORA3ADORA2AADORA2BADORA1MPO
SCHEMBL9919008 0.79 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL5712368 0.79 ADORA3 (0.59) FEN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22745955 0.79 FEN1 (0.60) FEN1MPOKEAP1NFE2L2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
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
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
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 (5 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 FEN1 3974/4885ADORA3 32/4885ADORA2A 18/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 FEN1 2304/4885ADORA3 431/4885ADORA2A 950/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 FEN1 4319/4885ADORA3 83/4885ADORA2A 41/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 FEN1 3688/4885ADORA3 20/4885ADORA2A 12/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 FEN1 365/4885ADORA3 2542/4885ADORA2A 3425/4885

“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.