SCHEMBL4190638

SCHEMBL4190638

NC(=O)c1cccc2[nH]c(C34CC(CN3CCCN3CCOCC3)C4)nc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.50
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL4192763 0.95 PARP1 (0.52) PARP1PARP2
SCHEMBL4192501 0.93 PARP1 (0.47) PARP1PARP2
SCHEMBL4192515 0.93 PARP1 (0.47) PARP1PARP2
SCHEMBL4188122 0.90 AURKB (0.52) PARP1AURKAAURKBPARP2
SCHEMBL4195555 0.88 PARP1 (0.49) PARP1PARP2
SCHEMBL4195545 0.88 PARP1 (0.49) PARP1PARP2
SCHEMBL4198534 0.87 PARP1 (0.46) PARP1PARP2
SCHEMBL4198252 0.86 PARP1 (0.53) PARP1AURKBPARP2
SCHEMBL4186261 0.86 PARP1 (0.52) PARP1PARP2
SCHEMBL4195514 0.85 PARP1 (0.55) PARP1AURKAAURKBPARP2

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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 PARP1 1/4885AURKA 1954/4885AURKB 902/4885

“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.