SCHEMBL13234464

SCHEMBL13234464

COc1cccc(CNC(=O)Nc2cc(C(C)(C)C)on2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.62
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ROCK2 O75116 4/20 0.54
ROCK1 Q13464 1/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
FLT3 P36888 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL2944830 0.87 RAF1 (0.66) RAF1MEN1KMT2AMAPTMAPK13
SCHEMBL101749 0.86 RAF1 (0.64) RAF1ROCK2ROCK1MAPK13MAPK12
SCHEMBL13199988 0.84 RET (0.62) RAF1MEN1KMT2AALDH1A1ROCK1
SCHEMBL13234466 0.84 MAPT (0.58) RAF1MEN1KMT2AGAAMAPT
SCHEMBL13234431 0.81 RAF1 (0.78) RAF1MEN1KMT2ALMNAMAPT
SCHEMBL13234565 0.81 RAF1 (0.73) RAF1MEN1KMT2AMAPK13MAPK12
SCHEMBL13234653 0.81 RAF1 (0.58) RAF1MEN1KMT2AALDH1A1LMNA
SCHEMBL3815151 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL102637 0.77 RAF1 (0.72) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11016786 0.76 EGFR (0.57) RAF1MEN1KMT2AMAPTMAPK13

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 372/4885MEN1 4362/4885KMT2A 285/4885

“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.