SCHEMBL13234463

SCHEMBL13234463

CC(C)(C)c1cc(NC(=O)NCCc2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
FLT3 P36888 4/20 0.63
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK14 Q16539 5/20 0.56
RAF1 P04049 5/20 0.56
MAPK13 O15264 3/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
EGFR P00533 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL13234414 0.84 FLT3 (0.79) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL5313848 0.82 NPC1 (0.67) RAB9ANPC1MAPT
SCHEMBL11017752 0.80 EGFR (0.69) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL13234777 0.80 FLT3 (0.80) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL13200555 0.80 FLT3 (0.73) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL11015930 0.79 EGFR (0.59) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL11646450 0.79 EGFR (0.59) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL2518089 0.79 MEN1 (1.00) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL11014875 0.79 RAB9A (0.62) RAB9ANPC1KMT2AMEN1FLT3
SCHEMBL13620456 0.78 EGFR (0.61) RAB9ANPC1KMT2AMEN1FLT3

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 RAB9A 1325/4885NPC1 1569/4885KMT2A 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.