SCHEMBL5054686

SCHEMBL5054686

CNc1ncc2cc(-c3cc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C#N)cc4)c(F)cc3C)c(=O)n(C(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.47
RAF1 P04049 6/20 0.47
KRAS P01116 5/20 0.38
KDR P35968 5/20 0.38
MAPK14 Q16539 5/20 0.38
MAPK12 P53778 4/20 0.38
MAPK13 O15264 3/20 0.38
MAPK11 Q15759 3/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 1/20 0.38
FYN P06241 1/20 0.38
ARAF P10398 1/20 0.38
EPHA2 P29317 1/20 0.38
CSK P41240 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
IRAK1 P51617 1/20 0.38
MAPK10 P53779 1/20 0.38
EPHB4 P54760 1/20 0.38
MAP2K5 Q13163 1/20 0.38

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
SCHEMBL5062241 0.93 BRAF (0.46) BRAFRAF1KRASKDRMAPK14
SCHEMBL5052267 0.93 BRAF (0.50) BRAFRAF1KRASKDRMAPK14
SCHEMBL5055226 0.92 BRAF (0.46) BRAFRAF1KRASKDRMAPK14
SCHEMBL5060194 0.91 BRAF (0.50) BRAFRAF1KRASKDRMAPK14
SCHEMBL5055154 0.90 KCNJ6 (0.39) BRAFRAF1KRASKDRMAPK14
SCHEMBL5059868 0.89 BRAF (0.49) BRAFRAF1KRASKDRMAPK14
SCHEMBL5060085 0.85 BRAF (0.47) BRAFRAF1KRASKDRMAPK14
SCHEMBL5055084 0.84 BRAF (0.48) BRAFRAF1KRASKDRMAPK14
SCHEMBL5056676 0.84 BRAF (0.52) BRAFRAF1KRASKDRMAPK14
SCHEMBL5060342 0.84 RAF1 (0.48) BRAFRAF1KRASKDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 BRAF 2/4885RAF1 55/4885KRAS 111/4885

“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.