SCHEMBL1372880

SCHEMBL1372880

N#Cc1ccccc1-c1ccc(CCl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
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
PTGES O14684 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL7014676 0.84 PTGES (0.40) GRM2GABRG2GABRB3GABRA5GABRA3
SCHEMBL8804904 0.84 ESR2 (0.44) GRM2GABRG2GABRB3GABRA5GABRA3
SCHEMBL9432764 0.84 ALOX5AP (0.41) GRM2GABRG2GABRB3GABRA5GABRA3
Bromide SCHEMBL9121443 0.83 ALOX5AP (0.40) GRM2GABRG2GABRB3GABRA5GABRA3
SCHEMBL27883850 0.82 PTGES (0.38) GRM2GABRG2GABRB3GABRA5GABRA3
SCHEMBL8965456 0.81 ALDH1A1 (0.39) GABRG2GABRB3GABRA5GABRA3ALOX5AP
SCHEMBL10470846 0.79 RAB9A (0.49) L3MBTL1GAAALDH1A1HPGDTDP1
SCHEMBL27932263 0.79 CYP11B1 (0.47) GABRG2GABRB3GABRA5GABRA3CYP3A4
SCHEMBL28371929 0.76 PTGES (0.52) GABRG2GABRB3GABRA5GABRA3ALOX5AP
SCHEMBL7015125 0.76 CCR1 (0.50) GRM2GABRG2GABRB3GABRA5GABRA3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
CN-102369205-B fused ring compound and use thereof TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-29 CN disclosed
CN-103788097-A Fused ring compound and application thereof TAKEDA PHARMACEUTICAL 2014-05-14 CN disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
CN-102369205-A Fused ring compound and use thereof TAKEDA PHARMACEUTICAL 2012-03-07 CN disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
CN-1175414-A Method for preparing substd. azacyclopyrimidine compound, its pharmaceutic salt or N-oxide AMERICAN HOME PROD (US) 1998-03-11 CN disclosed
EP-0539086-B1 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PROD (US) 1997-12-29 EP disclosed
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 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
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
CN-1072682-A SUBSTITUTED PYRIMIDINES AMERICAN HOME PROD (US) 1993-06-02 CN disclosed
EP-0539086-A2 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 GRM2 195/4885GABRG2 337/4885GABRB3 262/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 GRM2 195/4885GABRG2 337/4885GABRB3 262/4885

“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.