SCHEMBL1448495

SCHEMBL1448495

Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.70
PDGFRA P16234 12/20 0.70
BCR P11274 7/20 0.70
PDGFRB P09619 6/20 0.70
PRKCA P17252 2/20 0.70
EGFR P00533 2/20 0.69
KDR P35968 2/20 0.62
JAK3 P52333 1/20 0.61
BTK Q06187 1/20 0.61
ITK Q08881 1/20 0.61
BRAF P15056 1/20 0.61
MAPK14 Q16539 1/20 0.61
KIT P10721 5/20 0.61

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
SCHEMBL1408817 0.87 ABL1 (0.74) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL27841120 0.86 ABL1 (0.79) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL3219529 0.85 ABL1 (0.77) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL1408878 0.85 ABL1 (0.72) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL97567 0.85 PDGFRA (0.73) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL1449867 0.85 ABL1 (0.71) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL13492488 0.83 ABL1 (0.76) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL869136 0.83 ABL1 (0.72) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL9666 0.82 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL9782 0.82 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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.