SCHEMBL9919004

SCHEMBL9919004

Cc1ccc2c(=O)n(C)c(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.61
ADORA2B P29275 2/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
DAO P14920 2/20 0.49
CA9 Q16790 2/20 0.46
KIF11 P52732 2/20 0.46
HTR3A P46098 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
FEN1 P39748 2/20 0.43
PDE2A O00408 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CA12 O43570 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8215674 0.86 ADORA3 (0.61) ADORA3ADORA2BADORA2AADORA1DAO
SCHEMBL27398111 0.83 RXFP1 (0.49) ADORA3ADORA2BADORA2AADORA1DAO
SCHEMBL3376884 0.82 ADORA3 (0.61) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL30581043 0.82 ADORA3 (0.61) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL9919009 0.81 CA9 (0.66) ADORA3ADORA2BADORA2AADORA1DAO
SCHEMBL12928421 0.81 ADORA3 (0.59) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL709045 0.81 FEN1 (0.66) ADORA3ADORA2BADORA2AADORA1DAO
SCHEMBL9923021 0.81 ADORA3 (0.59) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL707203 0.78 ADORA3 (0.56) ADORA3ADORA2BADORA2AADORA1CA9
SCHEMBL12850104 0.78 ADORA3 (0.56) ADORA3ADORA2BADORA2AADORA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ADORA3 83/4885ADORA2B 50/4885ADORA2A 41/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 ADORA3 20/4885ADORA2B 15/4885ADORA2A 12/4885

“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.