SCHEMBL2747966

SCHEMBL2747966

Cc1cc(N)ccc1OCc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.44
ALOX15 P16050 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK14 Q16539 1/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
PLK1 P53350 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
SCHEMBL9666257 0.86 PLAU (0.49) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL2748578 0.83 PLAU (0.50) PLAUALDH1A1KDM4EUSP2KMT2A
SCHEMBL3384945 0.83 PLAU (0.47) PLAUALDH1A1USP2KMT2AMAOB
SCHEMBL8395008 0.82 PLAU (0.53) PLAUALDH1A1KDM4EKMT2AMAOB
SCHEMBL16167966 0.82 CDK4 (0.47) ALDH1A1MAOBFFAR1RAB9ANPC1
SCHEMBL29787368 0.82 PLAU (0.53) PLAUALDH1A1KDM4EKMT2AMAOB
SCHEMBL2747993 0.78 KMT2A (0.45) PLAUALDH1A1KMT2AMAOBHTT
SCHEMBL3356525 0.77 KDM4E (0.50) ALDH1A1KDM4EUSP2KMT2AMEN1
SCHEMBL12111157 0.76 ALDH1A1 (0.48) PLAUALDH1A1KMT2AMAOBALOX15
SCHEMBL811204 0.75 MAOB (0.55) PLAUALDH1A1KDM4EKMT2AMAOB

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 11 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
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-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 (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 PLAU 4778/4885ALDH1A1 3045/4885KDM4E 2221/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 PLAU 4778/4885ALDH1A1 3045/4885KDM4E 2221/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 PLAU 4778/4885ALDH1A1 3045/4885KDM4E 2221/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 PLAU 4778/4885ALDH1A1 3045/4885KDM4E 2221/4885

“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.