SCHEMBL100511

SCHEMBL100511

Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MDM2 Q00987 1/20 0.53
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
P2RX1 P51575 1/20 0.48
IDH1 O75874 1/20 0.47
HTT P42858 1/20 0.47
ALOX12 P18054 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL27708003 0.83 MAPT (0.53) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL1408451 0.82 MEN1 (0.62) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL97456 0.82 CFTR (0.49) RAB9AMAPTNPC1LMNAKMT2A
SCHEMBL1658804 0.82 BCAT2 (0.48) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL100510 0.80 MAPT (0.57) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL1449042 0.79 KMT2A (0.55) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL7820503 0.79 CYP1A2 (0.68) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL27688485 0.78 MAPT (0.56) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL3924451 0.78 KMT2A (0.70) RAB9AMAPTNPC1LMNAMAPK1
SCHEMBL1408802 0.76 MAPT (0.56) RAB9AMAPTNPC1LMNAMAPK1

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 30 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
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
US-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LIMITED (IN) 2007-10-04 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-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase ABL1, ABL2, BCR RAB9A 2761/4885MAPT 4071/4885NPC1 3224/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR RAB9A 2568/4885MAPT 3099/4885NPC1 3258/4885
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 RAB9A 2731/4885MAPT 2279/4885NPC1 3414/4885

“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.