SCHEMBL5055157

SCHEMBL5055157

CNc1ncc2cc(-c3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(F)c4)c3)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.46
NTRK1 P04629 2/20 0.44
MAPK13 O15264 9/20 0.43
MAPK12 P53778 8/20 0.43
MAPK11 Q15759 8/20 0.43
BRAF P15056 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
DDR2 Q16832 2/20 0.42
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL5056737 0.94 BRAF (0.45) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5052355 0.93 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5054594 0.91 MAPK14 (0.49) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5054734 0.89 MAPK14 (0.50) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5062301 0.89 BRAF (0.45) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5060663 0.87 MAP3K7 (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5060248 0.87 MAPK14 (0.49) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5055031 0.85 MAPK14 (0.47) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5062070 0.83 NTRK1 (0.46) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL5060116 0.82 BRAF (0.49) MAPK14NTRK1MAPK13MAPK12MAPK11

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 MAPK14 100/4885NTRK1 217/4885MAPK13 118/4885

“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.