SCHEMBL1409161

SCHEMBL1409161

Cc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
MAPK14 Q16539 4/20 0.47
LCK P06239 3/20 0.47
BTK Q06187 1/20 0.47
VCP P55072 2/20 0.47
CFTR P13569 1/20 0.47
ACKR3 P25106 1/20 0.46
RAF1 P04049 3/20 0.46
BRAF P15056 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KIT P10721 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
DDR1 Q08345 1/20 0.46
DDR2 Q16832 1/20 0.46
PTGS1 P23219 2/20 0.45
CSF1R P07333 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL1408802 0.82 MAPT (0.56) ACKR3TRPV1P2RX1
SCHEMBL1408452 0.80 PTGS1 (0.66) CFTRPTGS1P2RX1
SCHEMBL27707984 0.77 PTGS1 (0.55) KDRMAPK14LCKBTKCFTR
SCHEMBL11910398 0.76 P4HTM (0.63)
SCHEMBL4700667 0.75 NPC1 (0.56) RAF1BRAF
SCHEMBL29878393 0.75 NPC1 (0.56) RAF1BRAF
SCHEMBL29877681 0.75 BRAF (0.54) KDRMAPK14LCKBTKRAF1
SCHEMBL1449140 0.75 SMN1; SMN2 (0.56) CFTRPTGS1P2RX1
SCHEMBL97456 0.74 CFTR (0.49) CFTRPTGS1P2RX1
SCHEMBL17643720 0.74 GRM4 (0.55) KDRRAF1BRAFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786799-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE Natco Pharma Limited (IN) 2007-05-23 EP claimed
WO-2006027795-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2006-03-16 WO claimed
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
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
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 KDR 301/4885MAPK14 198/4885LCK 31/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR KDR 472/4885MAPK14 244/4885LCK 39/4885

“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.