SCHEMBL5059875

SCHEMBL5059875

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc5[nH]ncc5c4)c3)c(=O)n(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.45
BRAF P15056 3/20 0.45
MAPK14 Q16539 12/20 0.43
SYK P43405 11/20 0.43
SRC P12931 10/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
GSK3A P49840 8/20 0.43
KRAS P01116 2/20 0.41
KDR P35968 2/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL5066988 0.92 MAPK14 (0.44) BRAFMAPK14SYKSRCMAPK13
SCHEMBL5060109 0.89 MAPK14 (0.50) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4425259 0.88 MAPK14 (0.52) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4427768 0.87 BRAF (0.49) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL5055112 0.87 MAPK14 (0.53) RAF1BRAFMAPK14SRCMAPK13
SCHEMBL5055164 0.87 BRAF (0.45) RAF1BRAFMAPK14SYKSRC
SCHEMBL5052173 0.87 ABL1 (0.47) RAF1BRAFMAPK14SYKSRC
SCHEMBL5060539 0.87 ABL1 (0.55) RAF1BRAFMAPK14SYKSRC
SCHEMBL5052284 0.86 MAPK14 (0.47) RAF1BRAFMAPK14SYKSRC
SCHEMBL5062514 0.86 BRAF (0.47) RAF1BRAFMAPK14SRCMAPK13

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 RAF1 55/4885BRAF 2/4885MAPK14 100/4885

“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.