SCHEMBL3919508

SCHEMBL3919508

Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4CCN(OC(=O)C(F)(F)F)C4)CC3)c2)n[nH]c(=O)c1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.71
TNKS O95271 1/20 0.59
ADORA1 P30542 1/20 0.59
CDK6 Q00534 1/20 0.59
PDE3A Q14432 1/20 0.59
PARP6 Q2NL67 1/20 0.59
PARP15 Q460N3 1/20 0.59
PARP14 Q460N5 1/20 0.59
PARP10 Q53GL7 1/20 0.59
TIPARP Q7Z3E1 1/20 0.59
PARP8 Q8N3A8 1/20 0.59
PARP16 Q8N5Y8 1/20 0.59
PARP12 Q9H0J9 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
PARP11 Q9NR21 1/20 0.59
PARP2 Q9UGN5 1/20 0.59
PARP4 Q9UKK3 1/20 0.59
PARP3 Q9Y6F1 1/20 0.59

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
SCHEMBL4248744 0.96 PARP1 (0.68) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL3918423 0.90 PARP1 (0.71) PARP1
Trifluoroacetic Acid SCHEMBL3914805 0.88 PARP1 (0.71) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL20544624 0.87 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
Trifluoroacetic Acid SCHEMBL3921695 0.85 PARP1 (0.69) PARP1
SCHEMBL3914810 0.84 PARP1 (0.66) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL20544233 0.84 PARP1 (0.75) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL4249786 0.84 PARP1 (0.80) PARP1TNKSADORA1CDK6PDE3A
Trifluoroacetic Acid SCHEMBL3919501 0.84 PARP1 (0.91) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL3921698 0.83 PARP1 (0.65) PARP1TNKSADORA1CDK6PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP claimed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 PARP1 1/4885TNKS 19/4885ADORA1 890/4885

“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.