SCHEMBL691743

SCHEMBL691743

COC(=O)Cc1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
PTGS2 P35354 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 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
SCHEMBL12569062 0.93 NPSR1 (0.41) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL12568714 0.90 TBXA2R (0.39) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL13051455 0.88 L3MBTL1 (0.46) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL10206823 0.88 MAPT (0.44) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL12953758 0.87 POLB (0.40) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL12568712 0.86 POLB (0.41) ALDH1A1MAPTPOLBPTGS2
SCHEMBL13236208 0.86 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL13051457 0.85 POLB (0.40) ALDH1A1MAPTPOLBPTGS2
SCHEMBL13236237 0.85 PTGS2 (0.43) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL3464899 0.85 MAPT (0.54) KMT2AALDH1A1MEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293180-A1 PROCESS FOR PREPARING [4,6-BIS-DIMETHYLAMINO-2-[4-(4-TRIFLUOROMETHYLBENZOYL-AMINO)BENZYL]PYRIMIDIN-5-YL]ACETIC ACID Actimis Pharmaceuticals, Inc. (US) 2018-03-14 EP disclosed
EP-3293180-A1 PROCESS FOR PREPARING [4,6-BIS-DIMETHYLAMINO-2-[4-(4-TRIFLUOROMETHYLBENZOYL-AMINO)BENZYL]PYRIMIDIN-5-YL]ACETIC ACID Actimis Pharmaceuticals, Inc. (US) 2018-03-14 EP disclosed
EP-2709988-B1 PROCESS FOR PREPARING [4,6-BIS-DIMETHYLAMINO-2-[4-(4-TRIFLUOROMETHYLBENZOYL-AMINO)BENZYL]PYRIMIDIN-5-YL]ACETIC ACID BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
EP-2709988-B1 PROCESS FOR PREPARING [4,6-BIS-DIMETHYLAMINO-2-[4-(4-TRIFLUOROMETHYLBENZOYL-AMINO)BENZYL]PYRIMIDIN-5-YL]ACETIC ACID BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-8859770-B2 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-8859770-B2 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-8859770-B2 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20140187779-A1 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187779-A1 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20140187779-A1 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
EP-2205569-A1 ALKYLTHIO PYRIMIDINES AS CRTH2 ANTAGONISTS Actimis Pharmaceuticals, Inc., (US) 2010-07-14 EP disclosed
US-7750014-B2 Imidazo[1,2-C]pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7750014-B2 Imidazo[1,2-C]pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
WO-2009042138-A9 ALKYLTHIO PYRIMIDINES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS, INC. (US) 2009-10-15 WO disclosed
EP-1718649-B1 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS INC (US) 2009-06-10 EP disclosed
WO-2009042138-A1 ALKYLTHIO PYRIMIDINES AS CRTH2 ANTAGONISTS ACTIMIS PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives ACTIMIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 US disclosed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 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 (3 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-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases HRH2, HRH1, HRH4 KMT2A 3678/4885ALDH1A1 1360/4885MEN1 4644/4885
US-20140187779-A1 Process for preparing [4,6-bis-dimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid AKR7A2, CYP4B1, CYP3A4 KMT2A 2036/4885ALDH1A1 23/4885MEN1 806/4885
US-20090012102-A1 Imidazo[1,2-C]Pyrimidinylacetic Acid Derivatives HRH2, CCR2, HRH1 KMT2A 2921/4885ALDH1A1 1532/4885MEN1 4541/4885

“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.