SCHEMBL10272227

SCHEMBL10272227

Cc1cc(CN2CCN(c3ccc(N)cn3)CC2)cc2c1OC(C)C(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.59
TNK1 Q13470 1/20 0.42

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
SCHEMBL10260499 1.00 PARP1 (0.59) PARP1TNK1
SCHEMBL10261489 0.90 PARP1 (0.47) PARP1TNK1
SCHEMBL533003 0.87 PARP1 (0.56) PARP1TNK1
SCHEMBL10262284 0.86 PARP1 (0.74) PARP1
SCHEMBL10261950 0.85 PARP1 (0.58) PARP1
SCHEMBL531922 0.85 PARP1 (0.77) PARP1TNK1
SCHEMBL532110 0.84 PARP1 (0.62) PARP1
SCHEMBL532663 0.83 PARP1 (0.78) PARP1TNK1
SCHEMBL531937 0.83 PARP1 (0.78) PARP1TNK1
SCHEMBL10262037 0.78 PARP1 (0.44) PARP1TNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885TNK1 1855/4885

“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.