SCHEMBL3080922

SCHEMBL3080922

Cc1c(C)c(=O)[nH][n+](OC(=O)C(F)(F)F)c1Cc1ccc(F)c(C(=O)N2CCN([C@H](C)c3ccccc3)C(=O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.45
PARP2 Q9UGN5 13/20 0.45
P2RX7 Q99572 1/20 0.45
TIPARP Q7Z3E1 1/20 0.39
PARP8 Q8N3A8 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL3086467 1.00 PARP1 (0.45) PARP1PARP2P2RX7TIPARPPARP8
SCHEMBL3085173 0.92 PARP1 (0.42) PARP1PARP2TIPARPPARP8PARP3
SCHEMBL3082595 0.87 PARP1 (0.51) PARP1PARP2
SCHEMBL3081795 0.86 PARP1 (0.39) PARP1PARP2TIPARPPARP8PARP3
SCHEMBL3063144 0.86 PARP1 (0.39) PARP1PARP2TIPARPPARP8PARP3
SCHEMBL3075557 0.85 PARP1 (0.38) PARP1PARP2
SCHEMBL3069229 0.85 PARP1 (0.46) PARP1PARP2
SCHEMBL3075534 0.84 PARP1 (0.40) PARP1PARP2
SCHEMBL3068979 0.84 PARP1 (0.44) PARP1PARP2
SCHEMBL3080936 0.84 PARP1 (0.51) PARP1PARP2P2RX7

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-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

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 2/4885P2RX7 649/4885

“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.