SCHEMBL4544706

SCHEMBL4544706

c1ccc(Nc2ncnc3cc[nH]c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.60
ERBB2 P04626 14/20 0.60
ERBB3 P21860 13/20 0.60
ERBB4 Q15303 13/20 0.60
TTBK1 Q5TCY1 1/20 0.59
TTBK2 Q6IQ55 1/20 0.59
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
LTK P29376 1/20 0.56
MAPK8 P45983 1/20 0.56
CSNK1A1 P48729 1/20 0.56
RPS6KA3 P51812 1/20 0.56
LIMK1 P53667 1/20 0.56
MAP2K1 Q02750 1/20 0.56
ACVR1 Q04771 1/20 0.56
TYRO3 Q06418 1/20 0.56
MAP4K2 Q12851 1/20 0.56

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 0.87 EGFR (0.71) EGFRERBB2ERBB3ERBB4TTBK1
SCHEMBL4740956 0.82 EGFR (0.68) EGFRERBB2ERBB3ERBB4TTBK1
SCHEMBL2747938 0.81 TOP2A (0.67) EGFRERBB2ERBB3ERBB4KDM4E
SCHEMBL4544688 0.80 TTBK1 (0.64) EGFRERBB2ERBB3ERBB4TTBK1
SCHEMBL28541250 0.78 TTBK1 (0.54) EGFRERBB2TTBK1TTBK2DAPK3
SCHEMBL4544686 0.76 LMNA (0.61) EGFRKDM4EMAPK1HTT
SCHEMBL2748537 0.75 EGFR (0.80) EGFRERBB2ERBB3ERBB4
SCHEMBL18963653 0.75 DYRK1A (0.53) EGFRERBB2ERBB3ERBB4DYRK1A
SCHEMBL168084 0.75 TTBK1 (1.00) EGFRTTBK1TTBK2AURKB
SCHEMBL2749045 0.74 EGFR (0.72) EGFRERBB2ERBB3ERBB4TTBK1

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
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
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-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7825127-B2 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2010-11-02 US disclosed
US-7825127-B2 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2010-11-02 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
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 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
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO 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 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 EGFR 1259/4885ERBB2 2032/4885ERBB3 3193/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885ERBB2 3708/4885ERBB3 2950/4885
US-20080214584-A1 Method for treating cancer ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB3 3/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 EGFR 6/4885ERBB2 1/4885ERBB3 4/4885

“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.