SCHEMBL5061990

SCHEMBL5061990

CNc1ncc2cc(C3CC3NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C#N)c3)c(=O)n(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.46
TAB1 Q15750 1/20 0.46
MAPK14 Q16539 11/20 0.40
MAPK12 P53778 9/20 0.40
MAPK13 O15264 8/20 0.40
MAPK11 Q15759 8/20 0.40
NTRK1 P04629 4/20 0.40
DYRK3 O43781 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARK3 P27448 1/20 0.39
FRK P42685 1/20 0.39
GSK3B P49841 1/20 0.39
MAP4K2 Q12851 1/20 0.39
STK3 Q13188 1/20 0.39
SRC P12931 2/20 0.38
DDR2 Q16832 2/20 0.38
MAPK9 P45984 1/20 0.38
SYK P43405 1/20 0.37
WEE1 P30291 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL5055134 0.91 MAP3K7 (0.43) MAP3K7TAB1MAPK14MAPK12MAPK13
SCHEMBL5056323 0.91 MAP3K7 (0.46) MAP3K7TAB1MAPK14MAPK12MAPK13
SCHEMBL5056355 0.90 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5055029 0.90 NTRK1 (0.51) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5052268 0.88 NTRK1 (0.38) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5052163 0.88 NTRK1 (0.51) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5056309 0.86 NTRK1 (0.48) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5052252 0.85 ABL1 (0.51) MAP3K7MAPK14MAPK12MAPK13MAPK11
SCHEMBL5054966 0.85 MAPK14 (0.38) MAPK14MAPK12MAPK13MAPK11NTRK1
SCHEMBL5052162 0.85 MAPK14 (0.38) MAPK14MAPK12MAPK13MAPK11NTRK1

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 MAP3K7 22/4885TAB1 240/4885MAPK14 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.