SCHEMBL13698188

SCHEMBL13698188

CCC1C(=O)Nc2ccc(C(N)=O)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
NQO2 P16083 3/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
IDO1 P14902 3/20 0.42
GAA P10253 4/20 0.39
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.39
TDO2 P48775 1/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL30080736 0.86 NQO2 (0.45) PGRNQO2CDYL2CDYLIDO1
SCHEMBL28975294 0.78 PGR (0.56) PGRNQO2CDYL2CDYLIDO1
SCHEMBL2320598 0.78 PGR (0.56) PGRNQO2CDYL2CDYLIDO1
SCHEMBL9773884 0.78 POLB (0.50) PGRCDYL2CDYLIDO1GAA
SCHEMBL13698108 0.77 SMN1; SMN2 (0.37) NQO2IDO1GAATHRBMAPT
SCHEMBL24019919 0.76 PGR (0.57) PGRNQO2IDO1GAATP53
SCHEMBL2988866 0.76 PGR (0.57) PGRNQO2IDO1GAATP53
SCHEMBL2989569 0.75 TP53 (0.62) PGRNQO2GAATP53MAPT
SCHEMBL24754591 0.75 PGR (0.72) PGRNQO2CDYL2CDYLTP53
SCHEMBL2986303 0.75 PGR (0.72) PGRNQO2CDYL2CDYLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 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 (1 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 PGR 1338/4885NQO2 2738/4885CDYL2 2005/4885

“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.