SCHEMBL5055134

SCHEMBL5055134

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.43
TAB1 Q15750 1/20 0.43
NTRK1 P04629 5/20 0.38
DYRK3 O43781 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
FRK P42685 1/20 0.38
GSK3B P49841 1/20 0.38
MAP4K2 Q12851 1/20 0.38
STK3 Q13188 1/20 0.38
MAPK14 Q16539 11/20 0.37
MAPK12 P53778 5/20 0.37
MAPK13 O15264 4/20 0.37
MAPK11 Q15759 4/20 0.37
CDK8 P49336 2/20 0.36
NTRK2 Q16620 1/20 0.36
SRC P12931 2/20 0.35
MAPK9 P45984 2/20 0.35
DDR2 Q16832 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL5062240 0.93 NTRK1 (0.38) MAP3K7TAB1NTRK1MAPK14MAPK12
SCHEMBL5061990 0.91 MAP3K7 (0.46) MAP3K7TAB1NTRK1DYRK3RPS6KB1
SCHEMBL5054654 0.91 MAPK14 (0.46) NTRK1MAPK14MAPK12MAPK13MAPK11
SCHEMBL5054902 0.91 NTRK1 (0.47) NTRK1MAPK14MAPK12MAPK13MAPK11
SCHEMBL5056531 0.89 NTRK1 (0.36) NTRK1MAPK14MAPK12MAPK13MAPK11
SCHEMBL5052329 0.89 NTRK1 (0.48) NTRK1MAPK14MAPK12MAPK13MAPK11
SCHEMBL5056323 0.88 MAP3K7 (0.46) MAP3K7TAB1NTRK1DYRK3RPS6KB1
SCHEMBL5054922 0.82 MAP3K7 (0.47) MAP3K7TAB1DYRK3RPS6KB1MARK3
SCHEMBL5056355 0.81 MAPK14 (0.50) NTRK1MAPK14MAPK12MAPK13MAPK11
SCHEMBL5055029 0.81 NTRK1 (0.51) NTRK1MAPK14MAPK12MAPK13MAPK11

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 240/4885NTRK1 217/4885

“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.