SCHEMBL1408889

SCHEMBL1408889

Cc1ccc(NC(=O)c2ccccc2)c(C(F)(F)F)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HDAC2 Q92769 3/20 0.49
HDAC1 Q13547 4/20 0.49
PTGS1 P23219 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3919474 0.80 NPC1 (0.54) CYP1A2MAPTCYP2C9CYP2C19POLB
SCHEMBL1273833 0.75 GAA (0.70) POLBHPGDHDAC2HDAC1GAA
SCHEMBL20558345 0.74 GAA (0.67) MAPTPTGS1GAARAB9AKMT2A
SCHEMBL6054954 0.74 RAB9A (0.60) CYP1A2CYP2C9CYP2C19POLBHPGD
SCHEMBL26075550 0.73 POLB (0.54) CYP1A2MAPTCYP2C9CYP2C19POLB
SCHEMBL4555402 0.73 GAA (0.65) PTGS1GAANPC1RAB9AKMT2A
SCHEMBL6485998 0.72 MAPT (0.77) CYP1A2MAPTCYP2C9CYP2C19POLB
SCHEMBL1548172 0.72 MAPT (1.00) CYP1A2MAPTCYP2C9CYP2C19POLB
SCHEMBL3528827 0.71 MAPT (0.62) CYP1A2MAPTCYP2C9CYP2C19HDAC2
SCHEMBL28652032 0.71 KCNMA1 (0.60) CYP1A2MAPTCYP2C9CYP2C19POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295424-B1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2015-10-14 EP disclosed
EP-1786799-B1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LTD (IN) 2012-07-04 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
US-7910598-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 NATCO PHARMA LIMITED (IN) 2011-03-22 US disclosed
EP-2295424-A1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase Natco Pharma Limited (IN) 2011-03-16 EP disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US disclosed
US-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LIMITED (IN) 2007-10-04 US disclosed
EP-1786799-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE Natco Pharma Limited (IN) 2007-05-23 EP disclosed
WO-2006027795-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2006-03-16 WO 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-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase ABL1, ABL2, BCR CYP1A2 945/4885MAPT 4071/4885CYP2C9 995/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR CYP1A2 553/4885MAPT 3099/4885CYP2C9 1009/4885

“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.