SCHEMBL19636366

SCHEMBL19636366

CNc1c(C(=O)N2CCCN(C)CC2)c2nc3ccc(CNc4c(C(=O)NC5CN(C)C5)c5nc6ccc(CNc7c(C(=O)N8C[C@@H](C)N[C@@H](C)C8)c8nc9ccccc9n8c8ncncc78)cc6n5c5ncncc45)cc3n2c2ncncc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.31

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
SCHEMBL19636468 0.91 PARP1 (0.31) PARP1
SCHEMBL22348903 0.85 KDM4E (0.33) —
SCHEMBL19636467 0.83 NTRK1 (0.33) PARP1
SCHEMBL19636196 0.82 PARP1 (0.32) PARP1
SCHEMBL18057518 0.80 PARP1 (0.39) PARP1
SCHEMBL18057510 0.80 KDM4E (0.34) —
SCHEMBL18057496 0.80 KDM4E (0.34) —
SCHEMBL18057529 0.79 KDM4E (0.37) —
SCHEMBL22348892 0.77 TP53 (0.36) —
SCHEMBL21466266 0.76 KDM4E (0.33) —

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-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — 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-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885

“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.

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