SCHEMBL1258993

SCHEMBL1258993

CC(C)(C)N(C(=O)O)c1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.57
KDR P35968 10/20 0.45
PDGFRB P09619 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 1/20 0.45
IKBKB O14920 1/20 0.44
RAF1 P04049 1/20 0.44
ERBB2 P04626 1/20 0.44
CDK1 P06493 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
FGFR3 P22607 1/20 0.44
MAP2K1 Q02750 1/20 0.44
TEK Q02763 1/20 0.44
MAPK14 Q16539 1/20 0.44
AURKB Q96GD4 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ABL1 P00519 2/20 0.40

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
SCHEMBL3512224 0.90 BRAF (0.51) BRAFKDRPDGFRBKITFLT1
SCHEMBL3510114 0.85 BRAF (0.54) BRAFKDRPDGFRBKITFLT1
SCHEMBL3510563 0.84 BRAF (0.58) BRAFKDRPDGFRBKITFLT1
SCHEMBL2452684 0.84 BRAF (0.67) BRAFKDRPDGFRBKITFLT1
SCHEMBL1259624 0.83 BRAF (0.36) BRAFMAPK14ABL1
SCHEMBL3512217 0.82 BRAF (0.46) BRAFKDRNPC1RAB9A
SCHEMBL14949669 0.82 BRAF (0.55) BRAFKDRPDGFRBKITFLT1
SCHEMBL1258338 0.82 BRAF (0.56) BRAFKDRPDGFRBKITFLT1
SCHEMBL12892687 0.81 BRAF (0.71) BRAFKDRPDGFRBKITFLT1
SCHEMBL1259255 0.79 BRAF (0.45) BRAFKDRPDGFRBKITFLT1

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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 BRAF 84/4885KDR 966/4885PDGFRB 757/4885

“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.