SCHEMBL13234453

SCHEMBL13234453

COc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.64
▸ RAF1 P04049 7/20 0.63
▸ RAB9A P51151 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MAPK13 O15264 1/20 0.57
▸ MAPK12 P53778 1/20 0.57
▸ MAPK11 Q15759 1/20 0.57
▸ BRAF P15056 4/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ FLT3 P36888 4/20 0.55
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL13234456 0.86 RAF1 (0.69) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL2951112 0.82 RAB9A (0.77) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL13234432 0.81 RAF1 (0.93) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL10804234 0.79 RAF1 (0.62) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL13234451 0.79 MAPK14 (0.60) MAPK14RAF1MEN1KMT2ABRAF
SCHEMBL29663729 0.78 MAPT (0.69) MEN1KMT2AMAPTHTTPOLB
SCHEMBL13234371 0.78 RAF1 (0.86) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL13234431 0.78 RAF1 (0.78) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL2518089 0.77 MEN1 (1.00) MAPK14RAF1RAB9AMEN1KMT2A
SCHEMBL27294509 0.76 RAB9A (0.61) MAPK14RAF1RAB9AMEN1KMT2A

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 MAPK14 1436/4885RAF1 372/4885RAB9A 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.

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