SCHEMBL9948036

SCHEMBL9948036

CCCCc1nc(C)n(-c2cc(C)ccn2)c(=O)c1Cc1ccc(-c2ccccc2C(N)=NO)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DPP4 P27487 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
SCHEMBL9948035 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL9948422 0.92
SCHEMBL9948424 0.92
SCHEMBL9948039 0.88 SMN1; SMN2 (0.38) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL9947892 0.84 APLNR (0.36)
SCHEMBL9948184 0.84
SCHEMBL9947890 0.84 APLNR (0.36)
SCHEMBL9948189 0.84
SCHEMBL9947732 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL15435592 0.83

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 SMN1; SMN2 4689/4885NPC1 2133/4885TP53 4493/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD SMN1; SMN2 4773/4885NPC1 2655/4885TP53 3462/4885

“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.