SCHEMBL13465620

SCHEMBL13465620

COCCOC(=O)Nc1cccc(Cc2nn(-c3cn[nH]c3)ccc2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
ROCK2 O75116 2/20 0.39
MGLL Q99685 1/20 0.37
MET P08581 11/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL13465840 0.88 PARP1 (0.42) PARP1ROCK2MET
SCHEMBL13275163 0.86 MET (0.44) PARP1MET
SCHEMBL13449289 0.85 PARP1 (0.40) PARP1MGLLMET
SCHEMBL13275450 0.85 PARP1 (0.39) PARP1
SCHEMBL13275245 0.85 PARP1 (0.41) PARP1MGLLMET
SCHEMBL13274998 0.84 PARP1 (0.40) PARP1MET
SCHEMBL12517949 0.84 PARP1 (0.40) PARP1MGLLMET
SCHEMBL13465665 0.84 MET (0.44) PARP1MET
SCHEMBL13275480 0.84 PARP1 (0.40) PARP1MGLLMET
SCHEMBL13275332 0.83 KDM4E (0.39) PARP1MGLLMETKDR

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PARP1 2307/4885ROCK2 209/4885MGLL 3742/4885

“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.