SCHEMBL6371224

SCHEMBL6371224

CCc1cc(-c2ccc(CN3CCC(F)C3)o2)c(C)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ EZH2 Q15910 2/20 0.33
▸ PIM1 P11309 2/20 0.32
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2B P67870 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ PIM3 Q86V86 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL6371206 0.90 CDC7 (0.39) CDC7LMNAALDH1A1MAPK1PIM1
Hydrochloric Acid SCHEMBL2672841 0.89 CDC7 (0.39) CDC7LMNAALDH1A1MAPK1PIM1
SCHEMBL6372024 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL6371216 0.84 HTT (0.41) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL6372810 0.79 CDC7 (0.44) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL2672706 0.75 CYP2A6 (0.49) CYP2D6CYP2C19ALDH1A1KDM4ES1PR1
SCHEMBL2673527 0.75 ALDH1A1 (0.46) CYP2D6CYP2C19ALDH1A1KDM4ES1PR1
SCHEMBL6371390 0.74 CDC7 (0.41) CDC7CCNE1CDK2ROCK1DBF4
Hydrochloric Acid SCHEMBL2673404 0.73 CDC7 (0.40) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL6371576 0.71 TP53 (0.42) CYP2D6CYP2C19ALDH1A1KDM4EKMT2A

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 1271/4885CCNE1 823/4885CDK2 148/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885CCNE1 823/4885CDK2 148/4885

“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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