SCHEMBL9947871

SCHEMBL9947871

CCCCc1nc(CC)n(-c2ncc(OC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)nc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.37
CYP11B1 P15538 1/20 0.34
ACHE P22303 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL9947915 0.94 APLNR (0.33) APLNRACHEAGTR1AGTR2
SCHEMBL9948152 0.93 APLNR (0.36) APLNRCYP11B1
SCHEMBL9948106 0.89 APLNR (0.35) APLNRCYP11B1ACHEAGTR1AGTR2
SCHEMBL9948455 0.88 APLNR (0.34) APLNRCYP11B1ACHEAGTR1AGTR2
SCHEMBL9948502 0.87 APLNR (0.35) APLNRCYP11B1ACHEAGTR1AGTR2
SCHEMBL9948230 0.87 ACHE (0.33) ACHE
SCHEMBL9948415 0.84 PPARG (0.44) AGTR1
SCHEMBL9948447 0.84 APLNR (0.38) APLNRCYP11B1
SCHEMBL9948448 0.84 APLNR (0.38) APLNRCYP11B1
SCHEMBL9948451 0.84 APLNR (0.37) APLNR

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 10 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
CN-102639527-B Novel phenylpyridine derivative and medicinal agent comprising same KOWA CO 2014-11-05 CN 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
CN-103459380-A Novel phenylpyridine derivative and medicine containing the same KOWA CO 2013-12-18 CN disclosed
CN-102639527-A Novel phenylpyridine derivative and medicinal agent comprising same KOWA CO 2012-08-15 CN 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 331/4885CYP11B1 359/4885ACHE 4554/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD APLNR 620/4885CYP11B1 630/4885ACHE 4678/4885

“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.