SCHEMBL5067013

SCHEMBL5067013

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cncnc4C)c3)c(=O)n(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.53
RAF1 P04049 4/20 0.53
KRAS P01116 3/20 0.49
KDR P35968 3/20 0.49
FGFR1 P11362 3/20 0.47
EGFR P00533 2/20 0.47
SRC P12931 2/20 0.47
SIK2 Q9H0K1 2/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
STK26 Q9P289 1/20 0.44
STK24 Q9Y6E0 1/20 0.44
WEE1 P30291 3/20 0.42
MAPK14 Q16539 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
STAT5A P42229 1/20 0.42
ACVR1 Q04771 1/20 0.42
PKMYT1 Q99640 1/20 0.42
MAP2K2 P36507 1/20 0.42

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
SCHEMBL5057565 0.87 BRAF (0.40) BRAFRAF1KRASKDRFGFR1
SCHEMBL5061443 0.86 BRAF (0.55) BRAFRAF1KRASKDRFGFR1
SCHEMBL4274353 0.84 BRAF (0.55) BRAFRAF1KRASKDRFGFR1
SCHEMBL4425430 0.84 SRC (0.53) BRAFRAF1KRASKDRFGFR1
SCHEMBL5067072 0.84 FGFR1 (0.58) BRAFRAF1KRASKDRFGFR1
SCHEMBL5067042 0.84 BRAF (0.52) BRAFRAF1KRASKDRFGFR1
SCHEMBL5061600 0.84 BRAF (0.52) BRAFRAF1KRASKDRFGFR1
SCHEMBL4429158 0.83 BRAF (0.55) BRAFRAF1KRASKDRFGFR1
SCHEMBL5062959 0.82 BRAF (0.51) BRAFRAF1KRASKDRFGFR1
SCHEMBL5061511 0.82 WEE1 (0.51) BRAFRAF1KRASKDRFGFR1

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.