SCHEMBL1754894

SCHEMBL1754894

C=Cc1cc(C(F)(F)F)cc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.44
KDR P35968 4/20 0.43
IDH1 O75874 13/20 0.41
RAF1 P04049 3/20 0.40
STK25 O00506 1/20 0.38
CIT O14578 1/20 0.38
EPHB6 O15197 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
PAK3 O75914 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL5356773 0.87 BRAF (0.46) BRAFKDRIDH1RAF1
SCHEMBL5363478 0.85 BRAF (0.45) BRAFKDRIDH1RAF1STK25
SCHEMBL1754862 0.83 BRAF (0.46) BRAFKDRIDH1RAF1
SCHEMBL4556886 0.80 BRAF (0.43) BRAFKDRIDH1RAF1
SCHEMBL5359860 0.73 BRAF (0.44) BRAFKDRIDH1
SCHEMBL12413879 0.72 PTGES (0.46) BRAFKDRRAF1STK25CIT
SCHEMBL12413884 0.71 PTGES (0.42) BRAFKDRRAF1
SCHEMBL5365202 0.71 BRAF (0.53) BRAFKDRIDH1
SCHEMBL4556565 0.71 BRAF (0.57) BRAFKDRIDH1
SCHEMBL12413902 0.68 PTGES (0.42) BRAFMET

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US claimed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP claimed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP claimed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO claimed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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 (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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 BRAF 2073/4885KDR 474/4885IDH1 708/4885

“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.