SCHEMBL9948018

SCHEMBL9948018

CCCCc1nc(C2CCC2)n(-c2ncc(OC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C(N)=NO)nc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CYP11B1 P15538 1/20 0.30

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
SCHEMBL9948017 1.00 APLNR (0.35) APLNRAGTR1AGTR2CYP11B1
SCHEMBL9947799 0.97 APLNR (0.34) APLNRAGTR1AGTR2CYP11B1
SCHEMBL9947802 0.97 APLNR (0.34) APLNRAGTR1AGTR2CYP11B1
SCHEMBL9948223 0.95 AGTR1 (0.33) APLNRAGTR1AGTR2
SCHEMBL9948221 0.95 AGTR1 (0.33) APLNRAGTR1AGTR2
SCHEMBL9948373 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9948374 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9948142 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9948144 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9947853 0.92 AGTR1 (0.31) AGTR1AGTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315493-B2 Phenylpyridine derivative and drug containing same KOWA COMPANY, LTD. (JP) 2016-04-19 US disclosed
EP-2484675-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA CO (JP) 2014-11-05 EP disclosed
US-8778954-B2 Phenylpyridine derivative and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-07-15 US disclosed
EP-2687523-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME Kowa Company Ltd. (JP) 2014-01-22 EP disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 US disclosed
EP-2484675-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-06-28 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 (2 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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD APLNR 331/4885AGTR1 2/4885AGTR2 1/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD APLNR 620/4885AGTR1 2/4885AGTR2 1/4885

“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.