SCHEMBL97456

SCHEMBL97456

Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
BCAT2 O15382 1/20 0.48
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
P2RX1 P51575 1/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
FADS1 O60427 1/20 0.43
HTR2A P28223 1/20 0.42
TSPO P30536 1/20 0.42
GPR183 P32249 1/20 0.42

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
SCHEMBL1658804 0.88 BCAT2 (0.48) BCAT2POLBCYP1A2ALDH1A1LMNA
SCHEMBL100511 0.82 RAB9A (0.56) POLBALDH1A1LMNASMN1; SMN2P2RX1
SCHEMBL1408452 0.80 PTGS1 (0.66) CFTRCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL97455 0.78 SMN1; SMN2 (0.51) PTGS1SMN1; SMN2P2RX1NPC1RAB9A
SCHEMBL1449140 0.77 SMN1; SMN2 (0.56) CFTRCYP1A2ALDH1A1PTGS1SMN1; SMN2
SCHEMBL27688480 0.75 CFTR (0.48) CFTRCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL27707984 0.75 PTGS1 (0.55) CFTRCYP1A2ALDH1A1PTGS1SMN1; SMN2
SCHEMBL1409161 0.74 KDR (0.47) CFTRPTGS1P2RX1
SCHEMBL5900421 0.73 PTGS1 (0.63) CYP1A2ALDH1A1LMNAPTGS1SMN1; SMN2
SCHEMBL29502995 0.72 KMT2A (0.69) CFTRPOLBCYP1A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426119-B1 Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide NATCO PHARMA LTD (IN) 2013-10-09 EP claimed
EP-2426119-A1 Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide Natco Pharma Limited (IN) 2012-03-07 EP claimed
US-7939541-B2 Condensing (3-trifluoromethylsulfonyl) benzoyl chloride and 4-methyl-2-nitro-aniline; reducing nitro group with stannous chloride; condensing amino group with cyanamide; cyclocondensing guanidine group with 3-dimethylamino-1-pyridin-3-yl-propenone; antiproliferative agent NATCO PHARMA LIMITED (IN) 2011-05-10 US claimed
JP-2011513379-A 2011-04-28 JP claimed
EP-2254882-A2 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3- (4-PYRIDIN-3-YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE Natco Pharma Limited (IN) 2010-12-01 EP claimed
WO-2009109866-A2 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3- (4-PYRIDIN-3-YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2009-09-11 WO claimed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US claimed
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2008-10-09 US claimed
CN-102046617-B Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide NATCO PHARMA LTD 2014-08-20 CN disclosed
EP-2426119-B1 Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide NATCO PHARMA LTD (IN) 2013-10-09 EP disclosed
EP-2254882-B1 USE OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL -3-(4-PYRIDIN-3-YL-PYRIMIDIN-2YL-AMINO)-PHENYL]-BENZAMIDE AGAINST BREAST CANCER, GLIOMA AND ANGIOGENESIS. NATCO PHARMA LTD (IN) 2012-07-18 EP disclosed
EP-2254882-B1 USE OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL -3-(4-PYRIDIN-3-YL-PYRIMIDIN-2YL-AMINO)-PHENYL]-BENZAMIDE AGAINST BREAST CANCER, GLIOMA AND ANGIOGENESIS. NATCO PHARMA LTD (IN) 2012-07-18 EP disclosed
US-8183253-B2 Condensing (3-trifluoromethylsulfonyl) benzoyl chloride and 4-methyl-2-nitro-aniline; reducing nitro group with stannous chloride; condensing amino group with cyanamide; cyclocondensing guanidine group with 3-dimethylamino-1-pyridin-3-yl-propenone; antiproliferative agents; chronic myeloid leukemia NATCO PHARMA LIMITED (IN) 2012-05-22 US disclosed
EP-2426119-A1 Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide Natco Pharma Limited (IN) 2012-03-07 EP disclosed
WO-2009109866-A2 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3- (4-PYRIDIN-3-YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2009-09-11 WO disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US disclosed
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2008-10-09 US disclosed
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2008-10-09 US disclosed
CN-101068805-A Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2007-11-07 CN 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-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR CFTR 3110/4885BCAT2 316/4885POLB 2779/4885
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE AZI2, NNMT, ALKBH2 CFTR 2837/4885BCAT2 187/4885POLB 824/4885

“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.