SCHEMBL204714

SCHEMBL204714

NC(=O)c1cccc2nc(C3CCNCC3)oc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.51
PARP2 Q9UGN5 5/20 0.46
AURKA O14965 2/20 0.43
RPS6KB1 P23443 2/20 0.43
CDC7 O00311 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL206773 0.87 PARP1 (0.49) PARP1PARP2RPS6KB1KDM4EALDH1A1
SCHEMBL205132 0.85 PARP1 (0.55) PARP1PARP2AURKARPS6KB1
SCHEMBL204765 0.83 PARP1 (0.38) PARP1PARP2KDM4EALDH1A1
SCHEMBL207014 0.81 PARP1 (0.56) PARP1PARP2CDC7
SCHEMBL204400 0.81 PARP1 (0.37) PARP1PARP2KDM4EALDH1A1
SCHEMBL204471 0.80 PARP1 (0.56) PARP1PARP2
SCHEMBL206573 0.79 PARP1 (0.47) PARP1PARP2AURKARPS6KB1CDC7
SCHEMBL30444429 0.78 DHODH (0.55) KDM4EALDH1A1
SCHEMBL203957 0.78 PARP1 (0.57) PARP1PARP2
SCHEMBL204089 0.78 PARP1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885AURKA 2074/4885

“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.