SCHEMBL5052111

SCHEMBL5052111

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C#N)cc4)cc3)ccn2)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.57
BRAF P15056 11/20 0.57
MAPK14 Q16539 2/20 0.57
KDR P35968 2/20 0.55
ABL1 P00519 3/20 0.52
AXL P30530 1/20 0.52
SRC P12931 2/20 0.51
MAP3K7 O43318 1/20 0.50
NTRK1 P04629 1/20 0.50
RET P07949 1/20 0.50
EPHB2 P29323 1/20 0.50
RAF1 P04049 2/20 0.49

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
SCHEMBL5062102 0.92 MAP3K7 (0.61) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5054612 0.92 MAPK13 (0.55) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5052164 0.90 BRAF (0.61) MAPK13BRAFMAPK14KDRABL1
SCHEMBL2925833 0.90 MAPK14 (0.60) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5056292 0.89 KDR (0.54) MAPK13BRAFMAPK14KDRAXL
SCHEMBL5060048 0.88 MAPK13 (0.58) MAPK13BRAFMAPK14ABL1AXL
SCHEMBL5052135 0.86 MAPK13 (0.59) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5055119 0.85 MAPK14 (0.61) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5060665 0.85 ABL1 (0.75) MAPK13BRAFMAPK14KDRABL1
SCHEMBL5052249 0.85 ABL1 (0.60) MAPK13BRAFMAPK14KDRABL1

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 MAPK13 118/4885BRAF 2/4885MAPK14 100/4885

“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.