SCHEMBL2748246

SCHEMBL2748246

CS(=O)(=O)CCNCCCn1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.68
ERBB2 P04626 16/20 0.68
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP3A4 P08684 2/20 0.60
PIK3C2B O00750 1/20 0.60
MAP2K7 O14733 1/20 0.60
RIPK2 O43353 1/20 0.60
PIK3C2G O75747 1/20 0.60
STK10 O94804 1/20 0.60
ABCB11 O95342 1/20 0.60
ABL1 P00519 1/20 0.60
INSR P06213 1/20 0.60
RET P07949 1/20 0.60
PDGFRB P09619 1/20 0.60
SRC P12931 1/20 0.60
CYP3A5 P20815 1/20 0.60
ERBB3 P21860 1/20 0.60
CDK2 P24941 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL2748331 0.90 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL2748353 0.85 EGFR (0.59) EGFRERBB2ERBB3ERBB4
SCHEMBL2748899 0.85 EGFR (0.67) EGFRERBB2
SCHEMBL2748791 0.85 EGFR (0.69) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL2749768 0.84 EGFR (0.61) EGFRERBB2ERBB3ERBB4
SCHEMBL8367168 0.81 EGFR (0.89) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL8366002 0.81 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL2747754 0.81 EGFR (0.48) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL14090716 0.81 EGFR (0.79) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL2750507 0.79 EGFR (0.54) EGFRERBB2ERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 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-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-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-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 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
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
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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885MEN1 976/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885MEN1 976/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885MEN1 976/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885MEN1 976/4885

“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.