SCHEMBL5057709

SCHEMBL5057709

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)(C)C)nn4C(C)C)c3)c(=O)n(C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.50
RAF1 P04049 5/20 0.50
KRAS P01116 4/20 0.47
KDR P35968 4/20 0.47
MAP2K2 P36507 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MAPK14 Q16539 6/20 0.44
FGFR1 P11362 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
STK26 Q9P289 1/20 0.38
STK24 Q9Y6E0 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
FGFR4 P22455 2/20 0.38
WEE1 P30291 1/20 0.37

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
SCHEMBL5061604 0.92 BRAF (0.53) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5057338 0.89 BRAF (0.52) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4425718 0.87 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5060109 0.87 MAPK14 (0.50) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4425259 0.87 MAPK14 (0.52) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5055112 0.85 MAPK14 (0.53) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4427768 0.85 BRAF (0.49) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5062514 0.85 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5052387 0.84 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5056391 0.84 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2

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-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US claimed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 BRAF 1/4885RAF1 3/4885KRAS 30/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885RAF1 3/4885KRAS 30/4885

“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.