SCHEMBL13095758

SCHEMBL13095758

Cc1c(Cc2cccc(C(=O)N3CCN(C)C3)c2)n[nH]c(=O)c1C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.67

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
SCHEMBL12342182 0.86 PARP1 (0.60) PARP1
SCHEMBL12342215 0.85 PARP1 (0.56) PARP1
SCHEMBL12342191 0.79 PARP1 (0.52) PARP1
SCHEMBL4440359 0.79 PARP1 (1.00) PARP1
SCHEMBL20544497 0.78 PARP1 (0.79) PARP1
SCHEMBL4555554 0.77 PARP1 (1.00) PARP1
Trifluoroacetic Acid SCHEMBL4244891 0.76 PARP1 (0.76) PARP1
SCHEMBL4439534 0.73 PARP1 (1.00) PARP1
SCHEMBL4555570 0.72 PARP1 (1.00) PARP1
SCHEMBL26565113 0.72 PARP1 (0.71) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885

“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.