SCHEMBL5056531

SCHEMBL5056531

CNc1ncc2cc(C3CC3NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)nc3)c(=O)n(C(C)(C)CO)c2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.36
MAPK14 Q16539 15/20 0.35
MAPK12 P53778 5/20 0.35
MAPK11 Q15759 5/20 0.35
MAPK13 O15264 4/20 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 0.92 NTRK1 (0.38) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5052268 0.91 NTRK1 (0.38) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5055134 0.89 MAP3K7 (0.43) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5054654 0.89 MAPK14 (0.46) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5062642 0.89 MAPK14 (0.36) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5052329 0.88 NTRK1 (0.48) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5052094 0.87 MAPK14 (0.39) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5054902 0.86 NTRK1 (0.47) NTRK1MAPK14MAPK12MAPK11MAPK13
SCHEMBL5056600 0.81 MAPK14 (0.40) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5061990 0.80 MAP3K7 (0.46) NTRK1MAPK14MAPK12MAPK11MAPK13

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 NTRK1 217/4885MAPK14 100/4885MAPK12 99/4885

“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.