SCHEMBL16458129

SCHEMBL16458129

CC/C(N)=C(\Cc1ccc(-c2ccccc2C#N)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.39
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
WNT3A P56704 2/20 0.38
BRS3 P32247 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
FAAH O00519 1/20 0.35
RORC P51449 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CTSA P10619 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL16458130 1.00 ATR (0.39) ATRPRKDCATMWNT3ABRS3
SCHEMBL16458380 0.92 PRKDC (0.38) ATRPRKDCATMWNT3ABRS3
SCHEMBL16458382 0.92 PRKDC (0.38) ATRPRKDCATMWNT3ABRS3
SCHEMBL16458576 0.92 PRKDC (0.38) ATRPRKDCATMWNT3ABRS3
SCHEMBL16457963 0.89 FAAH (0.39) ATRPRKDCATMWNT3ABRS3
SCHEMBL16457964 0.89 FAAH (0.39) ATRPRKDCATMWNT3ABRS3
SCHEMBL15419283 0.84 PRKDC (0.35) ATRPRKDCATMWNT3ABRS3
SCHEMBL15418230 0.82 TSHR (0.38) ATRPRKDCATMWNT3ABRS3
SCHEMBL15419461 0.81 PRKDC (0.34) ATRPRKDCATMWNT3ABRS3
SCHEMBL28821695 0.81 PRKDC (0.36) ATRPRKDCATMWNT3AEGLN1

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 ATR 1975/4885PRKDC 3827/4885ATM 2560/4885

“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.