SCHEMBL9948175

SCHEMBL9948175

CCCCc1nc(C)n(-c2ccc(OC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.40
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
RET P07949 8/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL504745 0.91 APLNR (0.41) APLNR
SCHEMBL9947831 0.91 APLNR (0.41) APLNRAVPR2OXTRAVPR1A
SCHEMBL27932357 0.89 AVPR2 (0.40) APLNRAVPR2OXTRAVPR1AGRIN1
SCHEMBL15869618 0.88 APLNR (0.38) APLNR
SCHEMBL9948241 0.86 APLNR (0.38) APLNRAVPR2OXTRAVPR1AGRIN1
SCHEMBL9948111 0.85 APLNR (0.41) APLNRAVPR2OXTRAVPR1A
SCHEMBL9947879 0.85 SLC33A1 (0.45)
SCHEMBL9948063 0.85 APLNR (0.33) APLNR
SCHEMBL9948279 0.85 APLNR (0.39) APLNR
SCHEMBL9948060 0.84 APLNR (0.33) 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 331/4885AVPR2 257/4885OXTR 643/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD APLNR 620/4885AVPR2 111/4885OXTR 1690/4885

“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.