SCHEMBL5052094

SCHEMBL5052094

CNc1ncc2cc(C3CC3NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)nc3)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK13 O15264 3/20 0.39
CDK4 P11802 8/20 0.37
CCND1 P24385 7/20 0.37
NUAK1 O60285 3/20 0.37
FGFR1 P11362 3/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK1 P06493 2/20 0.37
PIK3CD O00329 1/20 0.37
PRKAB2 O43741 1/20 0.37
CCNT1 O60563 1/20 0.37
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
CCNB1 P14635 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
SCHEMBL5054862 0.92 MAPK14 (0.42) MAPK14MAPK12MAPK11MAPK13CDK4
SCHEMBL5052268 0.91 NTRK1 (0.38) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5056323 0.89 MAP3K7 (0.46) MAPK14MAPK12MAPK11MAPK13CDK4
SCHEMBL5062229 0.89 NTRK1 (0.44) MAPK14MAPK12MAPK11MAPK13CDK4
SCHEMBL5052221 0.89 MAPK14 (0.52) MAPK14MAPK12MAPK11MAPK13MAP3K7
SCHEMBL5062642 0.89 MAPK14 (0.36) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5052203 0.88 NTRK1 (0.46) MAPK14MAPK12MAPK11MAPK13CDK4
SCHEMBL5056531 0.87 NTRK1 (0.36) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5062070 0.86 NTRK1 (0.46) MAPK14MAPK12MAPK11MAPK13
SCHEMBL5060663 0.82 MAP3K7 (0.40) MAPK14MAPK12MAPK11MAPK13CDK4

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 100/4885MAPK12 99/4885MAPK11 189/4885

“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.