SCHEMBL5052263

SCHEMBL5052263

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)C)nn4-c4cccc(C#N)c4)c3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 5/20 0.39
KCNJ5 P48544 5/20 0.39
KCNJ3 P48549 5/20 0.39
BRAF P15056 5/20 0.37
RAF1 P04049 4/20 0.37
KRAS P01116 3/20 0.37
KDR P35968 3/20 0.37
MAP2K2 P36507 2/20 0.36
MAP2K1 Q02750 2/20 0.36
MAPK12 P53778 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
SRC P12931 2/20 0.33
SYK P43405 2/20 0.33
KLKB1 P03952 2/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
ERN1 O75460 1/20 0.33
GSK3A P49840 1/20 0.33

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) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5055154 0.93 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5052297 0.92 KCNJ6 (0.46) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5060424 0.92 MAPK14 (0.44) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5062365 0.91 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5062241 0.90 BRAF (0.46) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5054882 0.89 BRAF (0.38) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5056347 0.89 BRAF (0.39) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5055028 0.89 BRAF (0.39) KCNJ6KCNJ5KCNJ3BRAFRAF1
SCHEMBL5054588 0.89 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3BRAFRAF1

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 KCNJ6 3243/4885KCNJ5 3284/4885KCNJ3 3372/4885

“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.