SCHEMBL16458462

SCHEMBL16458462

CCCc1nc(C2CC2)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)nc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PDE5A O76074 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
GRM2 Q14416 1/20 0.30
PPARG P37231 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
SLC33A1 O00400 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9948179 0.96 AGTR1 (0.33) TNKSTNKS2L3MBTL1
SCHEMBL16458227 0.95 MAPT (0.33) TNKSTNKS2L3MBTL1
SCHEMBL16458623 0.94 TNKS (0.34) TNKSTNKS2PDE5AGRIN1GRIN2B
SCHEMBL9948538 0.93 AGTR1 (0.33) TNKSTNKS2PDE5APDE1APDE1B
SCHEMBL9948204 0.93 AGTR1 (0.35) TNKSTNKS2PDE5APDE1APDE1B
SCHEMBL9948139 0.92 AGTR1 (0.33) TNKSTNKS2PDE5APPARGPDE1A
SCHEMBL9948455 0.90 APLNR (0.34) PPARG
SCHEMBL9948502 0.87 APLNR (0.35)
SCHEMBL15418045 0.86 KDM5A (0.33) GRM2PPARGGAAL3MBTL1
SCHEMBL12526770 0.85 SLC33A1 (0.43) PPARGSLC33A1

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-9315493-B2 Phenylpyridine derivative and drug containing same KOWA COMPANY, LTD. (JP) 2016-04-19 US disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD TNKS 4331/4885TNKS2 3412/4885PDE5A 661/4885

“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.