SCHEMBL9948538

SCHEMBL9948538

CCCCc1nc(C2CCCC2)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)nc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
ACHE P22303 1/20 0.33
PDE5A O76074 3/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
APLNR P35414 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
SCHEMBL9948139 0.99 AGTR1 (0.33) AGTR1AGTR2ACHEPDE5APDE1A
SCHEMBL9948204 0.99 AGTR1 (0.35) AGTR1AGTR2ACHEPDE5APDE1A
SCHEMBL9948179 0.97 AGTR1 (0.33) AGTR1AGTR2ACHETNKSTNKS2
SCHEMBL16458227 0.95 MAPT (0.33) AGTR1AGTR2ACHETNKSTNKS2
SCHEMBL9948502 0.93 APLNR (0.35) AGTR1AGTR2ACHEAPLNR
SCHEMBL16458462 0.93 TNKS (0.33) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL9948455 0.91 APLNR (0.34) AGTR1AGTR2ACHEAPLNR
SCHEMBL16458623 0.90 TNKS (0.34) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL9948230 0.88 ACHE (0.33) ACHE
SCHEMBL9947915 0.87 APLNR (0.33) AGTR1AGTR2ACHEAPLNR

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 4 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
US-8778954-B2 Phenylpyridine derivative and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-07-15 US disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 US 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 AGTR1 2/4885AGTR2 1/4885ACHE 4554/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD AGTR1 2/4885AGTR2 1/4885ACHE 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.