SCHEMBL986142

SCHEMBL986142

CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 20/20 1.00
ERBB4 Q15303 9/20 0.72
ERBB3 P21860 8/20 0.72
LCK P06239 2/20 0.71
LYN P07948 2/20 0.71
MET P08581 2/20 0.71
CSK P41240 2/20 0.71
MAP2K1 Q02750 2/20 0.71
AURKB Q96GD4 2/20 0.71
BMPR1B O00238 1/20 0.66
EPHB6 O15197 1/20 0.66
MAP2K5 Q13163 1/20 0.66
NLK Q9UBE8 1/20 0.66

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
SCHEMBL3124458 0.93 EGFR (0.88) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506562 0.93 EGFR (0.88) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3508280 0.93 EGFR (0.88) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506238 0.93 EGFR (0.86) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3130051 0.92 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506372 0.92 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL2749278 0.92 EGFR (0.99) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3505768 0.91 EGFR (0.84) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3508433 0.91 EGFR (0.84) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL986159 0.91 EGFR (1.00) EGFRERBB2ERBB4ERBB3LCK

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 EP claimed
CN-1993362-B Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL 2010-12-15 CN claimed
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-20100183604-A1 PREVENTIVE/REMEDY FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-22 US claimed
EP-2163258-A1 PREVENTIVE/REMEDY FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP claimed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US claimed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP claimed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US claimed
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 CN claimed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO claimed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP claimed
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-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-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-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 CN disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP 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-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB4 52/4885
US-20100183604-A1 PREVENTIVE/REMEDY FOR CANCER CFL1, LIMK1, LIMK2 EGFR 1324/4885ERBB2 674/4885ERBB4 2455/4885
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 EGFR 54/4885ERBB2 31/4885ERBB4 13/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB4 52/4885

“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.