SCHEMBL13239632

SCHEMBL13239632

CC(C)(C)c1cc(NC(=O)Cc2ccc(Oc3ccncc3)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.69
RIPK2 O43353 1/20 0.69
RET P07949 5/20 0.56
FLT3 P36888 1/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
ROCK1 Q13464 1/20 0.53
EGFR P00533 1/20 0.53
KDM4E B2RXH2 1/20 0.53
KDR P35968 1/20 0.51
NTRK1 P04629 1/20 0.50

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
SCHEMBL13199934 0.86 KDM4E (0.71) RAF1RETFLT3ROCK1EGFR
SCHEMBL13200145 0.85 RAF1 (0.53) RAF1RIPK2RETFLT3MAPK13
SCHEMBL4444438 0.84 RAF1 (0.72) RAF1RIPK2FLT3MAPK13MAPK12
SCHEMBL102637 0.84 RAF1 (0.72) RAF1RIPK2FLT3MAPK13MAPK12
SCHEMBL13200780 0.82 FLT3 (0.63) RAF1RETFLT3ROCK1EGFR
SCHEMBL13199933 0.82 GAPDH (0.71) RAF1RETFLT3ROCK1EGFR
SCHEMBL668459 0.81 RAF1 (1.00) RAF1RIPK2FLT3MAPK13MAPK12
SCHEMBL9978507 0.81 FLT3 (0.62) RAF1RETFLT3ROCK1EGFR
SCHEMBL1256800 0.81 FLT3 (0.62) RAF1RETFLT3MAPK14ROCK1
SCHEMBL13200476 0.80 FLT3 (0.65) RAF1RETFLT3MAPK13MAPK12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed

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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885RIPK2 3664/4885RET 48/4885

“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.