SCHEMBL13234663

SCHEMBL13234663

COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 1.00
▸ KDR P35968 8/20 0.68
▸ RAF1 P04049 4/20 0.68
▸ FLT3 P36888 2/20 0.68
▸ EGFR P00533 3/20 0.63
▸ KIT P10721 1/20 0.62

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
SCHEMBL13200399 0.90 BRAF (0.81) BRAFKDRRAF1FLT3EGFR
SCHEMBL13200389 0.87 BRAF (0.77) BRAFKDRFLT3EGFR
SCHEMBL2941737 0.85 BRAF (0.74) BRAFKDRRAF1FLT3EGFR
SCHEMBL4821285 0.82 BRAF (0.71) BRAFKDRRAF1FLT3EGFR
SCHEMBL31067650 0.82 KDR (0.83) BRAFKDREGFRKIT
SCHEMBL31067666 0.82 KDR (1.00) BRAFKDREGFRKIT
SCHEMBL31067640 0.82 KDR (0.84) BRAFKDRFLT3EGFRKIT
SCHEMBL20434902 0.81 FLT3 (1.00) BRAFRAF1FLT3
SCHEMBL1780247 0.81 BRAF (1.00) BRAFKDRRAF1FLT3EGFR
SCHEMBL1010864 0.81 BRAF (1.00) BRAFKDRRAF1FLT3EGFR

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 BRAF 191/4885KDR 1094/4885RAF1 372/4885

“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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