SCHEMBL6374166

SCHEMBL6374166

O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2ncccc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.75
KCNH2 Q12809 1/20 0.70
PARP2 Q9UGN5 1/20 0.70

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
SCHEMBL7704600 0.86 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL30249471 0.83 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL4316464 0.83 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL6797445 0.83 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL23302463 0.81 PARP1 (0.67) PARP1KCNH2PARP2
SCHEMBL29786874 0.81 PARP1 (0.67) PARP1KCNH2PARP2
SCHEMBL6378266 0.78 PARP1 (1.00) PARP1
SCHEMBL6367403 0.78 PARP1 (0.79) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6790211 0.77 PARP1 (0.98) PARP1
SCHEMBL6791769 0.76 PARP1 (1.00) PARP1

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-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 PARP1 1/4885KCNH2 2523/4885PARP2 2/4885

“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.