SCHEMBL1408876

SCHEMBL1408876

Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.75
PDGFRA P16234 12/20 0.75
BCR P11274 7/20 0.75
PDGFRB P09619 5/20 0.75
EGFR P00533 1/20 0.75
PRKCA P17252 1/20 0.75
KIT P10721 6/20 0.68
KDR P35968 2/20 0.68
ABL2 P42684 1/20 0.67
BRAF P15056 1/20 0.66
MAPK14 Q16539 1/20 0.66

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
SCHEMBL29441265 0.93 ABL1 (0.77) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL868006 0.93 ABL1 (0.77) ABL1PDGFRABCRPDGFRBEGFR
Hydrochloric Acid SCHEMBL868161 0.92 ABL1 (0.76) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL5185763 0.92 ABL1 (0.83) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL1408815 0.92 ABL1 (0.77) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL12744294 0.91 ABL1 (0.75) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL869136 0.90 ABL1 (0.72) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL1415439 0.89 ABL1 (0.74) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL13492349 0.89 ABL1 (0.78) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL13492338 0.89 PDGFRA (0.83) ABL1PDGFRABCRPDGFRBEGFR

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-B1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LTD (IN) 2012-07-04 EP claimed
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 claimed
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
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 ABL1 1/4885PDGFRA 9/4885BCR 3/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR ABL1 1/4885PDGFRA 113/4885BCR 3/4885

“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.