SCHEMBL2748015

SCHEMBL2748015

CCc1nc(Cl)c2[nH]ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
ADORA2A P29274 9/20 0.38
ADORA1 P30542 9/20 0.38
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
AHR P35869 1/20 0.32
PRNP P04156 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL17097382 0.83 DYRK1A (0.41) DYRK1APRNPMAPTPDE4APDE4B
SCHEMBL17139726 0.82 DYRK1A (0.40) DYRK1A
SCHEMBL17139757 0.82 DYRK1A (0.40) DYRK1APRNPMAPTPDE4APDE4B
SCHEMBL16478438 0.80 ADORA2A (0.36) DYRK1AADORA2AADORA1KDM4EALDH1A1
SCHEMBL10171941 0.80 ADORA2A (0.36) DYRK1AADORA2AADORA1KDM4EADORA3
SCHEMBL17139754 0.79 DYRK1A (0.40) DYRK1A
SCHEMBL12396387 0.76 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL10256125 0.76 DYRK1A (0.50) DYRK1AADORA2AADORA1AHRTNF
SCHEMBL1674225 0.75 DYRK1A (0.53) DYRK1AAHRTNFRIPK1
SCHEMBL4106056 0.72 DYRK1A (0.50) DYRK1AAHRTNFRIPK1

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
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
CN-1993362-B Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL 2010-12-15 CN 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
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 CN 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 DYRK1A 1190/4885ADORA2A 2606/4885ADORA1 1657/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 DYRK1A 1190/4885ADORA2A 2606/4885ADORA1 1657/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 DYRK1A 1190/4885ADORA2A 2606/4885ADORA1 1657/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 DYRK1A 1190/4885ADORA2A 2606/4885ADORA1 1657/4885

“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.