SCHEMBL2750587

SCHEMBL2750587

CN(C)C/C=C/C(=O)NCc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.68
ERBB2 P04626 12/20 0.68
ERBB4 Q15303 3/20 0.68
JAK3 P52333 1/20 0.68
ERBB3 P21860 1/20 0.56
ABL1 P00519 1/20 0.53
INSR P06213 1/20 0.53
PDGFRB P09619 1/20 0.53
CDK2 P24941 1/20 0.53
PLK1 P53350 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL2750591 1.00 EGFR (0.68) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL2749741 0.89 EGFR (0.66) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL2749737 0.89 EGFR (0.66) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL2746978 0.87 EGFR (0.68) EGFRERBB2ERBB4ERBB3
SCHEMBL2512027 0.83 EGFR (0.85) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL2510049 0.81 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL4544774 0.81 EGFR (0.71) EGFRERBB2ERBB4ERBB3
Hydrochloric Acid SCHEMBL2749450 0.80 EGFR (0.70) EGFRERBB2ERBB4ERBB3
SCHEMBL3897513 0.80 EGFR (0.60) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL12262309 0.80 EGFR (0.73) EGFRERBB2ERBB4JAK3

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
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
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 21/4885ERBB4 52/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB4 52/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB4 52/4885
US-20090018335-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.