SCHEMBL2748139

SCHEMBL2748139

O=C(O)Cn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 20/20 0.79
ERBB3 P21860 14/20 0.79
ERBB4 Q15303 14/20 0.79
BMPR1B O00238 1/20 0.73
EPHB6 O15197 1/20 0.73
LCK P06239 1/20 0.73
LYN P07948 1/20 0.73
MET P08581 1/20 0.73
CSK P41240 1/20 0.73
MAP2K1 Q02750 1/20 0.73
MAP2K5 Q13163 1/20 0.73
AURKB Q96GD4 1/20 0.73
NLK Q9UBE8 1/20 0.73

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
SCHEMBL2746806 0.92 EGFR (0.82) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL3901958 0.92 EGFR (0.68) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748532 0.91 EGFR (0.82) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL3902753 0.90 EGFR (0.76) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748925 0.90 EGFR (0.86) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749566 0.89 EGFR (1.00) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749732 0.88 EGFR (0.74) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749033 0.88 EGFR (0.80) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749029 0.88 EGFR (0.88) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2748485 0.88 EGFR (0.85) EGFRERBB2ERBB3ERBB4BMPR1B

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 6 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-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
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 (3 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 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885

“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.