SCHEMBL2748937

SCHEMBL2748937

Cc1ccc(Oc2ccc(Nc3ncnc4cc(-c5ccc(CO)cc5)[nH]c34)cc2C)cn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.63
EGFR P00533 10/20 0.63
ERBB3 P21860 1/20 0.63
ERBB4 Q15303 1/20 0.63
KCNH2 Q12809 3/20 0.48
FECH P22830 1/20 0.47
CDK8 P49336 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL2749928 0.90 ERBB2 (0.67) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4544790 0.90 ERBB2 (0.67) ERBB2EGFRERBB3ERBB4KCNH2
Hydrochloric Acid SCHEMBL2749272 0.89 ERBB2 (0.66) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2748098 0.87 ERBB2 (0.62) ERBB2EGFRERBB3ERBB4KCNH2
Hydrochloric Acid SCHEMBL2747541 0.87 ERBB2 (0.61) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2747328 0.86 ERBB2 (0.61) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2749516 0.85 ERBB2 (0.55) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2750634 0.84 ERBB2 (0.60) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2749386 0.84 ERBB2 (0.64) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2747265 0.83 ERBB2 (0.59) ERBB2EGFRERBB3ERBB4KCNH2

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 23 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
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (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-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 ERBB2 21/4885EGFR 68/4885ERBB3 2/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885ERBB3 2/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885ERBB3 2/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ERBB2 21/4885EGFR 68/4885ERBB3 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.