SCHEMBL1409100

SCHEMBL1409100

Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.55
CSF1R P07333 4/20 0.54
RAF1 P04049 4/20 0.54
KIT P10721 5/20 0.53
MAPK14 Q16539 4/20 0.53
LCK P06239 3/20 0.53
KDR P35968 1/20 0.53
BTK Q06187 1/20 0.53
USP36 Q9P275 4/20 0.53
SRC P12931 3/20 0.53
ABL1 P00519 2/20 0.53
DDR1 Q08345 2/20 0.51
DDR2 Q16832 2/20 0.51
EPHB2 P29323 1/20 0.50

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
SCHEMBL1358527 0.86 HDAC3 (0.58) BRAFCSF1RKITMAPK14LCK
SCHEMBL22025295 0.84 PTGS1 (0.64) BRAFKITBTK
SCHEMBL29921719 0.84 BRAF (0.54) BRAFCSF1RRAF1KITMAPK14
SCHEMBL29071356 0.84 BRAF (0.54) BRAFCSF1RRAF1KITMAPK14
SCHEMBL1409060 0.83 BRAF (0.61) BRAFCSF1RRAF1KITMAPK14
SCHEMBL374471 0.82 PTGS1 (0.70) BRAFCSF1RKITMAPK14LCK
SCHEMBL19500736 0.82 BRAF (0.53) BRAFCSF1RRAF1KITMAPK14
SCHEMBL4421974 0.81 CSF1R (0.52) BRAFCSF1RKITMAPK14LCK
Hydrochloric Acid SCHEMBL5004557 0.81 PTGS1 (0.68) BRAFCSF1RKITMAPK14LCK
SCHEMBL12465329 0.81 P2RY14 (0.53) BRAFCSF1RKITMAPK14LCK

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 13 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
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
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 (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 BRAF 95/4885CSF1R 524/4885RAF1 81/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP BRAF 680/4885CSF1R 4503/4885RAF1 2041/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR BRAF 35/4885CSF1R 576/4885RAF1 134/4885

“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.