SCHEMBL9947803

SCHEMBL9947803

CCCCc1nc(C2CC2)n(-c2ncc(OC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C(=N)NO)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
PPARG P37231 1/20 0.31
PDE9A O76083 1/20 0.31

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
SCHEMBL9948020 0.97 APLNR (0.35) APLNRAGTR1AGTR2
SCHEMBL9947856 0.94 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL16457786 0.93 MAPT (0.32) AGTR1AGTR2
SCHEMBL9948226 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9948376 0.92 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9948145 0.91 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL16458224 0.90 TNKS2 (0.30)
SCHEMBL9947895 0.89 APLNR (0.36) APLNR
SCHEMBL9948451 0.89 APLNR (0.37) APLNR
SCHEMBL9947802 0.88 APLNR (0.34) APLNRAGTR1AGTR2FLT3TYRO3

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
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
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
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.