SCHEMBL2747591

SCHEMBL2747591

Nc1ccc(Oc2cccc(OC(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.50
ERBB2 P04626 6/20 0.50
ERBB3 P21860 5/20 0.50
ERBB4 Q15303 5/20 0.50
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN9A Q15858 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
PDE7A Q13946 1/20 0.40
HTR2A P28223 1/20 0.38

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
SCHEMBL3508308 0.87 CETP (0.45) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL7187883 0.82 MAOB (0.55) MAPTMEN1MITFALDH1A1GAA
SCHEMBL2749090 0.82 MAPT (0.45) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL2747848 0.82 EGFR (0.53) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL29638122 0.82 EGFR (0.53) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL3509042 0.81 MAOB (0.59) MAPTMEN1MITFALDH1A1GAA
SCHEMBL29865080 0.80 SMN1; SMN2 (0.60) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL3126923 0.80 EGFR (0.47) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL3506992 0.80 EGFR (0.44) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL12190086 0.80 MRGPRX4 (0.62) EGFRERBB2MRGPRX4SLC6A4MAOB

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 14 patents. 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-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-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 EGFR 573/4885ERBB2 195/4885ERBB3 60/4885
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 2/4885
US-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 EGFR 28/4885ERBB2 8/4885ERBB3 3/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 EGFR 68/4885ERBB2 21/4885ERBB3 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.