SCHEMBL5052203

SCHEMBL5052203

CNc1ncc2cc(C3CC3NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccnc3)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.46
MAPK14 Q16539 8/20 0.44
MAPK13 O15264 6/20 0.44
MAPK12 P53778 6/20 0.44
MAPK11 Q15759 6/20 0.44
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
BRAF P15056 4/20 0.40
NTRK2 Q16620 2/20 0.40
PTK2 Q05397 1/20 0.38
NTRK3 Q16288 1/20 0.38
MAP3K7 O43318 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TAB1 Q15750 1/20 0.37
RAF1 P04049 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
SCHEMBL5052221 0.93 MAPK14 (0.52) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5052163 0.91 NTRK1 (0.51) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5062070 0.90 NTRK1 (0.46) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5062229 0.89 NTRK1 (0.44) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5056323 0.89 MAP3K7 (0.46) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5052094 0.88 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11CDK4
SCHEMBL5054862 0.88 MAPK14 (0.42) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5052329 0.87 NTRK1 (0.48) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5056355 0.83 MAPK14 (0.50) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5054594 0.82 MAPK14 (0.49) NTRK1MAPK14MAPK13MAPK12MAPK11

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 100/4885MAPK13 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.