SCHEMBL13234657

SCHEMBL13234657

COc1ccc(N(N)C(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.63
MAPK14 Q16539 2/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
RIPK2 O43353 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL2950766 0.87 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234654 0.84 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13239646 0.80 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234650 0.79 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234656 0.79 RAF1 (0.54) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234432 0.78 RAF1 (0.93) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13199934 0.76 KDM4E (0.71) RAF1KMT2AEGFR
SCHEMBL2949615 0.76 RAF1 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2253734 0.75 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234371 0.75 RAF1 (0.86) RAF1MAPK14MAPK13MAPK12MAPK11

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 4 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
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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 372/4885MAPK14 1436/4885MAPK13 1519/4885

“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.