SCHEMBL13239835

SCHEMBL13239835

CCc1cc2nc(Cl)nc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.64
▸ RAF1 P04049 5/20 0.58
▸ EGFR P00533 3/20 0.55
▸ KDR P35968 3/20 0.55
▸ MAPK14 Q16539 2/20 0.50
▸ FLT3 P36888 6/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46

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
SCHEMBL2941737 0.92 BRAF (0.74) BRAFRAF1EGFRKDRMAPK14
SCHEMBL13234663 0.78 BRAF (1.00) BRAFRAF1EGFRKDRFLT3
SCHEMBL1013264 0.73 BRAF (1.00) BRAFRAF1EGFRKDRMAPK14
SCHEMBL1013427 0.73 BRAF (0.77) BRAFRAF1
SCHEMBL13234895 0.73 NTRK1 (0.54) BRAFRAF1KDRMAPK14FLT3
SCHEMBL13234371 0.73 RAF1 (0.86) BRAFRAF1MAPK14FLT3MEN1
SCHEMBL13234456 0.71 RAF1 (0.69) BRAFRAF1MAPK14FLT3MEN1
SCHEMBL13234432 0.71 RAF1 (0.93) RAF1MAPK14FLT3MEN1NPC1
SCHEMBL13853030 0.71 RAF1 (0.74) RAF1KDRMAPK14FLT3MEN1
SCHEMBL13234430 0.71 MAPK14 (0.76) RAF1KDRMAPK14FLT3MEN1

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 1 patent. 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

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 191/4885RAF1 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.

Send feedback