SCHEMBL2941737

SCHEMBL2941737

COc1cc2nc(Cl)nc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.74
▸ RAF1 P04049 5/20 0.67
▸ EGFR P00533 8/20 0.64
▸ KDR P35968 7/20 0.64
▸ FLT3 P36888 2/20 0.55
▸ MAPK14 Q16539 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
SCHEMBL13239835 0.92 BRAF (0.64) BRAFRAF1EGFRKDRFLT3
SCHEMBL13234663 0.85 BRAF (1.00) BRAFRAF1EGFRKDRFLT3
SCHEMBL1013264 0.80 BRAF (1.00) BRAFRAF1EGFRKDRFLT3
SCHEMBL1013427 0.79 BRAF (0.77) BRAFRAF1
SCHEMBL13234456 0.77 RAF1 (0.69) BRAFRAF1FLT3MAPK14
SCHEMBL13234895 0.76 NTRK1 (0.54) BRAFRAF1KDRFLT3MAPK14
SCHEMBL13234371 0.76 RAF1 (0.86) BRAFRAF1FLT3MAPK14
SCHEMBL13200399 0.75 BRAF (0.81) BRAFRAF1EGFRKDRFLT3
SCHEMBL13234432 0.74 RAF1 (0.93) RAF1FLT3MAPK14
SCHEMBL1780247 0.74 BRAF (1.00) BRAFRAF1EGFRKDRFLT3

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 14 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-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
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 — — US disclosed
EP-1684762-A4 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORP (US) 2009-06-17 — — EP disclosed
EP-1684762-A2 UREA DERIVATIVES AS KINASE MODULATORS Ambit Biosciences Corporation (US) 2006-08-02 — — EP disclosed
US-20050267182-A1 Urea derivatives as FLT-3 modulators AMBIT BIOSCIENCES CORPORATION 2005-12-01 — — US disclosed
US-20050197371-A1 Urea derivatives as PDGFR modulators AMBIT BIOSCIENCES CORPORATION 2005-09-08 — — US disclosed
US-20050192314-A1 Urea derivatives as C-kit modulators AMBIT BIOSCIENCES CORPORATION 2005-09-01 — — US disclosed
US-20050165024-A1 Urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 — — US disclosed
US-20050165031-A1 Urea derivatives as ABL modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 — — US disclosed
WO-2005048948-A2 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2005-06-02 — — WO 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 (6 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-20050165024-A1 Urea derivatives as kinase modulators ULK2, ULK1, ULK3 BRAF 139/4885RAF1 115/4885EGFR 971/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR BRAF 191/4885RAF1 372/4885EGFR 196/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE BRAF 109/4885RAF1 135/4885EGFR 942/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 BRAF 319/4885RAF1 338/4885EGFR 215/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA BRAF 537/4885RAF1 636/4885EGFR 17/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR BRAF 191/4885RAF1 372/4885EGFR 196/4885

“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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