SCHEMBL97455

SCHEMBL97455

Cc1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
KDR P35968 2/20 0.49
MAPK14 Q16539 2/20 0.49
CSF1R P07333 1/20 0.49
KIT P10721 1/20 0.49
LCK P06239 1/20 0.49
BTK Q06187 1/20 0.49
BRAF P15056 5/20 0.48
PTGS1 P23219 2/20 0.48
RAF1 P04049 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
RAB9A P51151 2/20 0.47
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
DDR1 Q08345 1/20 0.47
DDR2 Q16832 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1658803 0.88 SMN1; SMN2 (0.51) SMN1; SMN2KDRMAPK14CSF1RKIT
SCHEMBL99561 0.84 BRAF (0.53) SMN1; SMN2KDRMAPK14CSF1RKIT
SCHEMBL374471 0.83 PTGS1 (0.70) KDRMAPK14CSF1RKITLCK
Hydrochloric Acid SCHEMBL97179 0.83 BRAF (0.52) SMN1; SMN2KDRMAPK14CSF1RKIT
SCHEMBL100510 0.82 MAPT (0.57) SMN1; SMN2RAB9AMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL5004557 0.82 PTGS1 (0.68) KDRMAPK14CSF1RKITLCK
SCHEMBL7605416 0.79 PTGS1 (0.50) SMN1; SMN2PTGS1RAB9AMEN1HTT
SCHEMBL4748653 0.79 KCNK3 (0.69) BRAFRAB9AMEN1KMT2AKCNK3
SCHEMBL10092868 0.78 CSF1R (0.55) KDRMAPK14CSF1RKITLCK
SCHEMBL97456 0.78 CFTR (0.49) SMN1; SMN2PTGS1RAB9AMEN1HTT

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 28 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-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
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 SMN1; SMN2 2748/4885KDR 472/4885MAPK14 244/4885
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 SMN1; SMN2 539/4885KDR 2598/4885MAPK14 557/4885

“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.