SCHEMBL13234431

SCHEMBL13234431

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.78
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
MAPK14 Q16539 2/20 0.67
MAPK13 O15264 1/20 0.67
MAPK12 P53778 1/20 0.67
MAPK11 Q15759 1/20 0.67
NTRK1 P04629 1/20 0.67
RET P07949 1/20 0.67
BRAF P15056 6/20 0.65
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT1 P42224 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FLT3 P36888 1/20 0.61

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
SCHEMBL13234432 0.86 RAF1 (0.93) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL668623 0.85 RAF1 (0.80) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL1012125 0.84 BRAF (0.83) RAF1MAPK14MAPK11RETBRAF
SCHEMBL1011593 0.84 RAF1 (0.83) RAF1MAPK14MAPK11RETBRAF
SCHEMBL1012716 0.84 RAB9A (0.76) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL14014125 0.84 KMT2A (0.76) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL13234565 0.83 RAF1 (0.73) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL2518089 0.83 MEN1 (1.00) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL13234371 0.83 RAF1 (0.86) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL13234449 0.82 KMT2A (0.74) RAF1NPC1RAB9AMEN1KMT2A

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 372/4885NPC1 1569/4885RAB9A 1325/4885

“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.