SCHEMBL13234456

SCHEMBL13234456

COc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.69
▸ MAPK14 Q16539 3/20 0.65
▸ MEN1 O00255 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ BRAF P15056 5/20 0.63
▸ FLT3 P36888 5/20 0.63
▸ MAPK13 O15264 1/20 0.62
▸ MAPK12 P53778 1/20 0.62
▸ MAPK11 Q15759 1/20 0.62
▸ RIPK2 O43353 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
SCHEMBL13234453 0.86 MAPK14 (0.64) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL13234432 0.85 RAF1 (0.93) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL21174246 0.84 FLT3 (0.87) RAF1BRAFFLT3
Hydrochloric Acid SCHEMBL21174119 0.83 FLT3 (0.85) RAF1BRAFFLT3
SCHEMBL13234431 0.81 RAF1 (0.78) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL13234371 0.81 RAF1 (0.86) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL2951112 0.81 RAB9A (0.77) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL13234441 0.81 RAB9A (0.71) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL13234435 0.80 MAPK14 (0.78) RAF1MAPK14MEN1NPC1RAB9A
SCHEMBL13234666 0.80 MAPK14 (0.78) RAF1MAPK14MEN1NPC1RAB9A

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 1436/4885MEN1 4362/4885

“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.

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