SCHEMBL3076774

SCHEMBL3076774

Cc1nn(Cc2ccc(-c3nc(C(N)=O)cs3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.45
EIF4E P06730 1/20 0.41
SLC2A1 P11166 4/20 0.39
SLC2A3 P11169 4/20 0.39
SLC2A4 P14672 4/20 0.39
CASP1 P29466 1/20 0.38
ADRA1D P25100 1/20 0.37

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
SCHEMBL3075120 0.92 EIF4E (0.45) AREIF4E
SCHEMBL3089374 0.89 AR (0.44) AREIF4ESLC2A1SLC2A3SLC2A4
SCHEMBL3078791 0.89 RAB9A (0.46) AREIF4E
SCHEMBL3076725 0.87 AR (0.44) AREIF4E
SCHEMBL3070014 0.86 AR (0.45) ARSLC2A1SLC2A3SLC2A4CASP1
SCHEMBL3081349 0.86 AR (0.57) ARCASP1ADRA1D
SCHEMBL3083432 0.84 AR (0.40) AREIF4E
SCHEMBL13308427 0.84 ALDH1A1 (0.46) AREIF4E
SCHEMBL3075818 0.83 CASP1 (0.47) ARSLC2A1SLC2A3SLC2A4CASP1
SCHEMBL3080777 0.83 CASP1 (0.47) ARSLC2A1SLC2A3SLC2A4CASP1

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 1/4885EIF4E 1465/4885SLC2A1 3366/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885EIF4E 1460/4885SLC2A1 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.