SCHEMBL5062000

SCHEMBL5062000

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.61
ABL1 P00519 3/20 0.53
AXL P30530 1/20 0.53
MAPK13 O15264 2/20 0.52
BRAF P15056 7/20 0.52
MAPK14 Q16539 4/20 0.52
SRC P12931 2/20 0.51
FLT3 P36888 1/20 0.50
NTRK1 P04629 2/20 0.49
TAB1 Q15750 1/20 0.48
AURKA O14965 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48

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
SCHEMBL5060048 0.92 MAPK13 (0.58) MAP3K7ABL1AXLMAPK13BRAF
SCHEMBL5052158 0.90 MAPK14 (0.61) MAP3K7ABL1AXLBRAFMAPK14
Hydrochloric Acid SCHEMBL2926128 0.90 MAPK14 (0.60) MAP3K7ABL1AXLBRAFMAPK14
SCHEMBL5060685 0.89 BRAF (0.50) MAP3K7ABL1AXLMAPK13BRAF
SCHEMBL5054904 0.89 MAPK14 (0.61) ABL1AXLMAPK13BRAFMAPK14
SCHEMBL5060447 0.89 MAPK13 (0.55) ABL1AXLMAPK13BRAFMAPK14
SCHEMBL5062102 0.88 MAP3K7 (0.61) MAP3K7ABL1AXLMAPK13BRAF
SCHEMBL5062147 0.85 BRAF (0.62) ABL1AXLMAPK13BRAFMAPK14
SCHEMBL5062003 0.84 ABL1 (0.76) MAP3K7ABL1AXLMAPK13BRAF
SCHEMBL5062447 0.84 MAPK13 (0.59) ABL1AXLMAPK13BRAFMAPK14

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 MAP3K7 22/4885ABL1 20/4885AXL 117/4885

“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.