SCHEMBL6796856

SCHEMBL6796856

O=c1[nH]c(CCCN2CC=C(c3ccncc3)CC2)nc2c(Cl)cccc12

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.86
KCNH2 Q12809 1/20 0.82
PARP2 Q9UGN5 1/20 0.82

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
Hydrochloric Acid SCHEMBL6795836 0.99 PARP1 (0.84) PARP1KCNH2PARP2
SCHEMBL6795925 0.93 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL6797445 0.90 PARP1 (1.00) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6794910 0.89 PARP1 (0.79) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6795333 0.88 PARP1 (0.80) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6797340 0.86 PARP1 (0.78) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6796139 0.86 PARP1 (0.75) PARP1KCNH2PARP2
SCHEMBL6801279 0.82 PARP1 (0.81) PARP1KCNH2PARP2
SCHEMBL6803738 0.82 PARP1 (0.81) PARP1KCNH2PARP2
SCHEMBL6795615 0.81 PARP1 (0.79) PARP1KCNH2PARP2

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-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 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-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 PARP1 1/4885KCNH2 1429/4885PARP2 3/4885

“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.