SCHEMBL3073100

SCHEMBL3073100

CCN1C(=O)CN(C(=O)c2cc(Cc3n[nH]c(=O)c(C(F)(F)F)c3C)ccc2F)C[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.55
TNKS O95271 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55
KCNH2 Q12809 3/20 0.52

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
SCHEMBL3063289 1.00 PARP1 (0.55) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL15988440 1.00 PARP1 (0.55) PARP1TNKSTNKS2PARP2PARP3
Trifluoroacetic Acid SCHEMBL3069178 0.97 PARP1 (0.53) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL15988334 0.91 PARP1 (0.63) PARP1
Trifluoroacetic Acid SCHEMBL3073502 0.90 PARP1 (0.58) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL15988441 0.85 PARP1 (0.60) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL3072268 0.85 PARP1 (0.57) PARP1
Trifluoroacetic Acid SCHEMBL3069237 0.83 PARP1 (0.58) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL3069184 0.82 PARP1 (0.43) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL15988390 0.82 PARP1 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885TNKS 20/4885TNKS2 56/4885

“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.