SCHEMBL4544688

SCHEMBL4544688

COc1ccc(Nc2ncnc3cc[nH]c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 3/20 0.64
TTBK2 Q6IQ55 3/20 0.64
EGFR P00533 12/20 0.60
ERBB2 P04626 8/20 0.60
ERBB3 P21860 8/20 0.60
ERBB4 Q15303 8/20 0.60
MAPT P10636 1/20 0.58
GRM1 Q13255 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LCK P06239 2/20 0.56
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
PDPK1 O15530 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL16432121 0.83 EGFR (0.71) TTBK1TTBK2EGFRERBB2ERBB3
SCHEMBL4544706 0.80 EGFR (0.60) TTBK1TTBK2EGFRERBB2ERBB3
SCHEMBL2253412 0.80 EGFR (0.61) EGFRMAPTHTTMEN1KMT2A
SCHEMBL4913787 0.77 RAB9A (0.72) TTBK1TTBK2MAPTNPC1RAB9A
SCHEMBL24881479 0.75 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL2748830 0.74 ERBB2 (1.00) EGFRERBB2ERBB3ERBB4
SCHEMBL2748898 0.74 EGFR (0.61) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL3401165 0.74 NPC1 (0.97) EGFRERBB2ERBB4MAPTGRM1
SCHEMBL3339302 0.74 MAPT (1.00) EGFRERBB2MAPTGRM1NPC1
SCHEMBL18963653 0.73 DYRK1A (0.53) EGFRERBB2ERBB3ERBB4PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993634-B2 Methods and use of compounds that bind to Her2/neu receptor complex THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-03-31 US disclosed
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 EP disclosed
US-20130190405-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-25 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-2011153050-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-12-08 WO disclosed
EP-2359825-A2 Combination drug Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
WO-2011040212-A1 THERAPEUTIC AGENT FOR BRAIN TUMOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 WO disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20080214584-A1 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-04 US disclosed
US-20080214584-A1 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-04 US disclosed
WO-2008044782-A2 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-17 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TTBK1 2736/4885TTBK2 2764/4885EGFR 68/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 TTBK1 2736/4885TTBK2 2764/4885EGFR 68/4885
US-20130190405-A1 METHODS AND USE OF COMPOUNDS THAT BIND TO HER2/NEU RECEPTOR COMPLEX ERBB2, EGFR, ERBB3 TTBK1 578/4885TTBK2 201/4885EGFR 2/4885
US-20080214584-A1 Method for treating cancer ERBB2, EGFR, ERBB3 TTBK1 831/4885TTBK2 350/4885EGFR 2/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 TTBK1 2736/4885TTBK2 2764/4885EGFR 68/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 TTBK1 840/4885TTBK2 642/4885EGFR 6/4885

“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.