SCHEMBL3089374

SCHEMBL3089374

Cc1nn(Cc2nc(C(N)=O)cs2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.44
CASP1 P29466 1/20 0.39
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
SLC2A4 P14672 2/20 0.38
MAP3K14 Q99558 2/20 0.37
EIF4E P06730 1/20 0.36
DPP4 P27487 1/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL3076797 0.92 AR (0.45) ARCASP1MAP3K14EIF4E
SCHEMBL3080699 0.92 AR (0.45) ARMAP3K14EIF4E
SCHEMBL3088656 0.89 AR (0.49) AREIF4E
SCHEMBL3075762 0.89 AR (0.43) ARMAP3K14EIF4E
SCHEMBL3076774 0.89 AR (0.45) ARCASP1SLC2A1SLC2A3SLC2A4
SCHEMBL3074086 0.88 RAB9A (0.43) AR
SCHEMBL3086581 0.85 MAPK1 (0.42) ARSLC2A1SLC2A3SLC2A4DPP4
SCHEMBL3086088 0.85 AR (0.44) ARSLC2A1SLC2A3SLC2A4EIF4E
SCHEMBL3063786 0.83 AR (0.41) AREIF4ENSD2
SCHEMBL3070014 0.82 AR (0.45) ARCASP1SLC2A1SLC2A3SLC2A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885CASP1 3941/4885SLC2A1 3366/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CASP1 3925/4885SLC2A1 3345/4885

“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.