SCHEMBL5052208

SCHEMBL5052208

CC(C)(C)c1cc(NC(=O)Nc2cc(-c3cccc4c3CNC4=O)ccc2F)n(-c2ccc3c(c2)CCNC3)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
KDR P35968 7/20 0.46
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
ROCK2 O75116 1/20 0.41
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.41
EPHA2 P29317 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
AURKB Q96GD4 1/20 0.41
DDR2 Q16832 1/20 0.40
BRAF P15056 3/20 0.40

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
SCHEMBL5056305 0.97 ABL1 (0.52) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5054979 0.94 ABL1 (0.60) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5059990 0.92 ABL1 (0.57) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL2082144 0.89 KDR (0.53) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5054766 0.89 KDR (0.45) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5055155 0.89 ABL1 (0.49) ABL1KDRMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL2082034 0.89 KDR (0.53) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5052081 0.88 KDR (0.46) ABL1KDRMAPK14MAPK13MAPK12
SCHEMBL5062541 0.88 MAPK14 (0.54) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5056411 0.87 MAPK14 (0.56) KDRMAPK14MAPK13MAPK12MAPK11

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 ABL1 20/4885KDR 41/4885MAPK14 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.