SCHEMBL2749254

SCHEMBL2749254

CNc1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 1/20 0.58
EGFR P00533 14/20 0.57
ERBB2 P04626 14/20 0.57
ERBB3 P21860 7/20 0.57
ERBB4 Q15303 7/20 0.57
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 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
SCHEMBL11584206 0.84 STK39 (0.65) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL25917913 0.82 STK39 (0.50) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL26218452 0.81 IDH2 (0.50) KDRMAPK14TNNI3KTLR8TLR7
SCHEMBL11584161 0.81 STK39 (0.64) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL15832050 0.81 L3MBTL1 (0.60) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL22874613 0.80 NR3C1 (0.53) BRAFKDRMAPK14TNNI3KTLR8
SCHEMBL22874574 0.79 PNLIP (0.55) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL10538095 0.79 NPSR1 (0.57) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL11121304 0.79 STK39 (0.50) STK39EGFRERBB2ERBB3ERBB4
SCHEMBL2747848 0.79 EGFR (0.53) STK39EGFRERBB2ERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 EP disclosed
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP 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 (4 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 STK39 3014/4885EGFR 68/4885ERBB2 21/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 STK39 3014/4885EGFR 68/4885ERBB2 21/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 STK39 3014/4885EGFR 68/4885ERBB2 21/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 STK39 3014/4885EGFR 68/4885ERBB2 21/4885

“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.