SCHEMBL9947732

SCHEMBL9947732

CCCCc1nc(C)n(-c2cc(C)ccn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9948207 0.91 DPP4 (0.34) DPP4
SCHEMBL9948039 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL9947997 0.84 PPARG (0.43)
SCHEMBL9948036 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL9948035 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NPC1TP53POLBNFKB1
SCHEMBL9948230 0.83 ACHE (0.33)
SCHEMBL9948152 0.83 APLNR (0.36)
SCHEMBL503957 0.81 ACHE (0.41)
SCHEMBL504271 0.81 ACHE (0.39)
SCHEMBL504010 0.80 ACHE (0.42)

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
EP-2484675-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA CO (JP) 2014-11-05 EP 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
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 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.