SCHEMBL6372810

SCHEMBL6372810

CCc1cc(-c2ccc(CN3CCC(F)C3)s2)c(C)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ DBF4 Q9UBU7 4/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ DHODH Q02127 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ EZH2 Q15910 2/20 0.33
▸ MLNR O43193 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ PARP1 P09874 3/20 0.31
▸ PARP2 Q9UGN5 3/20 0.31
▸ LTA4H P09960 1/20 0.31

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
SCHEMBL6371390 0.95 CDC7 (0.41) CDC7ROCK1DBF4CCNE1CDK2
Hydrochloric Acid SCHEMBL2673404 0.94 CDC7 (0.40) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL6371410 0.88 CDC7 (0.40) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL6372169 0.87 OPRK1 (0.38) CDC7ROCK1DBF4CCNE1CDK2
Hydrochloric Acid SCHEMBL2674131 0.86 OPRK1 (0.38) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL6371112 0.86 PIM1 (0.40) EZH2DDR1PARP1
SCHEMBL6372062 0.85 CCNC (0.39) CDC7ROCK1DBF4OPRK1
Hydrochloric Acid SCHEMBL2674369 0.85 PIM1 (0.40) EZH2DDR1PARP1
SCHEMBL6371371 0.85 OPRK1 (0.39) OPRK1
Hydrochloric Acid SCHEMBL2674323 0.84 CDC7 (0.38) CDC7ROCK1DBF4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885ROCK1 963/4885DBF4 3509/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885ROCK1 963/4885DBF4 3509/4885

“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.

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