SCHEMBL7014676

SCHEMBL7014676

N#Cc1ccccc1-c1ccc(CBr)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA5 P31644 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GRM2 Q14416 2/20 0.37
ATR Q13535 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR2 Q92731 1/20 0.37
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL27883850 0.88 PTGES (0.38) PTGESGABRG2GABRB3GABRA3GABRA5
SCHEMBL8804904 0.84 ESR2 (0.44) PTGESGABRG2GABRB3GABRA3GABRA5
SCHEMBL1372880 0.84 GRM2 (0.39) PTGESGABRG2GABRB3GABRA3GABRA5
SCHEMBL9432764 0.84 ALOX5AP (0.41) PTGESGABRG2GABRB3GABRA3GABRA5
Bromide SCHEMBL9121443 0.83 ALOX5AP (0.40) PTGESGABRG2GABRB3GABRA3GABRA5
SCHEMBL28371929 0.79 PTGES (0.52) PTGESGABRG2GABRB3GABRA3GABRA5
SCHEMBL27932263 0.79 CYP11B1 (0.47) GABRG2GABRB3GABRA3GABRA5CYP3A4
SCHEMBL10470846 0.79 RAB9A (0.49) ALDH1A1HPGDTDP1ATMGAA
SCHEMBL4109897 0.76 FEN1 (0.48) ALOX5APFEN1GRM2CYP1A2CYP11B1
SCHEMBL8484254 0.76 KCNH2 (0.40) GABRG2GABRB3GABRA3GABRA5GRM2

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 15 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-2687523-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA CO (JP) 2016-01-06 EP 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
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 US disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO disclosed
US-5283242-A Hypotensive agents, cardiotonic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-01 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP 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 PTGES 538/4885GABRG2 802/4885GABRB3 466/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD PTGES 766/4885GABRG2 1373/4885GABRB3 1061/4885

“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.