SCHEMBL5062804

SCHEMBL5062804

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C#N)cc4)c3)c(=O)n(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.43
RAF1 P04049 4/20 0.43
KCNJ6 P48051 3/20 0.39
KCNJ5 P48544 3/20 0.39
KCNJ3 P48549 3/20 0.39
KRAS P01116 3/20 0.39
KDR P35968 3/20 0.39
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
SRC P12931 2/20 0.37
FGFR1 P11362 2/20 0.37
EGFR P00533 1/20 0.37
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36

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
SCHEMBL5054894 0.93 BRAF (0.42) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5055154 0.93 KCNJ6 (0.39) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5056541 0.92 BRAF (0.43) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL4433363 0.91 KCNJ6 (0.49) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5052284 0.90 MAPK14 (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5052308 0.89 BRAF (0.40) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5052335 0.89 BRAF (0.40) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5060431 0.88 KCNJ6 (0.46) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5055022 0.88 BRAF (0.44) BRAFRAF1KCNJ6KCNJ5KCNJ3
SCHEMBL5052263 0.85 KCNJ6 (0.39) BRAFRAF1KCNJ6KCNJ5KCNJ3

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 55/4885KCNJ6 3243/4885

“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.