SCHEMBL4544686

SCHEMBL4544686

c1ccc(CNc2ncnc3cc[nH]c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CDK2 P24941 1/20 0.61
EGFR P00533 12/20 0.59
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
RAB9A P51151 1/20 0.59
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL2253412 0.82 EGFR (0.61) LMNAMAPK1EGFRNR2F2HTT
SCHEMBL20119690 0.77 SMN1; SMN2 (0.64) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL4354437 0.77 JAK2 (0.68) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL4544706 0.76 EGFR (0.60) MAPK1EGFRHTTKDM4E
6-Benzylaminopurine SCHEMBL37358 0.76 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL29349525 0.76 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL23035074 0.75 HSD17B10 (0.46) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL8378682 0.75 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL218733 0.75 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL11477809 0.75 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6

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-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
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 (5 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 LMNA 2833/4885TSHR 505/4885MAPK1 137/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 LMNA 2833/4885TSHR 505/4885MAPK1 137/4885
US-20080214584-A1 Method for treating cancer ERBB2, EGFR, ERBB3 LMNA 4460/4885TSHR 773/4885MAPK1 3989/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 LMNA 2833/4885TSHR 505/4885MAPK1 137/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 LMNA 4823/4885TSHR 1461/4885MAPK1 362/4885

“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.