SCHEMBL4359377

SCHEMBL4359377

N#Cc1ccccc1-c1ccc(N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.66
PTPN5 P54829 1/20 0.50
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
TRPA1 O75762 1/20 0.45
CYP3A4 P08684 5/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
PTGES O14684 1/20 0.41
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL31410710 0.87 ESR2 (0.76) ESR2PTPN5ALOX5APFEN1TRPA1
SCHEMBL31466824 0.86 ESR2 (0.54) ESR2PTPN5ALOX5APFEN1TRPA1
SCHEMBL27930441 0.84 ESR2 (0.47) ESR2PTPN5ALOX5APFEN1CYP3A4
SCHEMBL2016996 0.83 ESR2 (0.70) ESR2PTPN5TRPA1TDP1GABRG2
SCHEMBL29662886 0.82 ESR2 (0.69) ESR2PTPN5TRPA1HSD17B10GABRG2
SCHEMBL27895577 0.82 ESR2 (0.69) ESR2PTPN5TRPA1GABRG2GABRB3
Water SCHEMBL3178714 0.82 ESR2 (0.69) ESR2PTPN5TRPA1HSD17B10GABRG2
SCHEMBL223 0.82 ESR2 (0.69) ESR2PTPN5TRPA1HSD17B10GABRG2
Methylamine SCHEMBL3181738 0.81 ESR2 (0.62) ESR2PTPN5TRPA1CYP3A4HSD17B10
SCHEMBL28571074 0.81 ESR2 (0.68) ESR2PTPN5TRPA1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286990-A1 PROCESS FOR PREPARING IRBESARTAN DR. REDDY'S LABORATORIES, INC. 2009-11-19 US disclosed
US-7439261-B2 Process for the preparation of valsartan and intermediates thereof DIPHARMA S.P.A. (IT) 2008-10-21 US disclosed
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers SCHAEFER THOMAS 2006-11-09 US disclosed
CN-1795182-A Aminoaryl-1, 3, 5-triazines and their use as UV absorbers CIBA SC HOLDING AG (CH) 2006-06-28 CN disclosed
EP-1641768-A2 AMINOARYL-1-3-5 TRIAZINES AND THEIR USE AS UV ABSORBERS Ciba SC Holding AG (CH) 2006-04-05 EP disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1533305-A1 A process for the preparation of valsartan and intermediates thereof Dipharma S.p.A. (IT) 2005-05-25 EP disclosed
WO-2004106311-A2 AMINOARYL-1-3-5 TRIAZINES AND THEIR USE AS UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-09 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6720317-B1 1-NAPHTH-2-YL-1H-PYRAZOLE-5-(4-AMIDINOPHENYL)CARBOXYAMIDE, MULTIPLY SUBSTITUTED; NON AMIDINO ANTICOAGULANTS; HEMOSTATIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 WO disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 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-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers IK, CRY2, CRY1 ESR2 1330/4885PTPN5 1498/4885ALOX5AP 2670/4885
US-20090286990-A1 PROCESS FOR PREPARING IRBESARTAN AGTR1, PAH, AGT ESR2 3993/4885PTPN5 913/4885ALOX5AP 3779/4885

“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.