SCHEMBL3076041

SCHEMBL3076041

CCc1cc(Cc2ccc(F)c(C(=O)N3CCN(C4CCc5ccccc5C4)C(=O)C3)c2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.49
PARP2 Q9UGN5 3/20 0.47
TNKS O95271 1/20 0.46
ADORA1 P30542 1/20 0.46
CDK6 Q00534 1/20 0.46
PDE3A Q14432 1/20 0.46
PARP6 Q2NL67 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TIPARP Q7Z3E1 1/20 0.46
PARP8 Q8N3A8 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP12 Q9H0J9 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46

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
SCHEMBL3081166 1.00 PARP1 (0.49) PARP1PARP2TNKSADORA1CDK6
SCHEMBL3068727 1.00 PARP1 (0.49) PARP1PARP2TNKSADORA1CDK6
SCHEMBL15988316 0.87 PARP1 (0.55) PARP1PARP2
SCHEMBL15988424 0.86 PARP1 (0.56) PARP1PARP2
SCHEMBL15988287 0.86 PARP1 (0.59) PARP1
Trifluoroacetic Acid SCHEMBL3075090 0.83 PARP1 (0.51) PARP1PARP2
Trifluoroacetic Acid SCHEMBL3086766 0.83 PARP1 (0.55) PARP1
SCHEMBL3075432 0.82 PARP1 (0.50) PARP1PARP2
Trifluoroacetic Acid SCHEMBL3073924 0.82 PARP1 (0.52) PARP1PARP2
SCHEMBL3088360 0.82 PARP1 (0.50) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP claimed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US claimed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US claimed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885TNKS 20/4885

“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.