SCHEMBL3085330

SCHEMBL3085330

Cc1nn(Cc2ccc(C#N)cc2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.50
CYP19A1 P11511 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
CYP11B2 P19099 4/20 0.45
CYP11B1 P15538 3/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 3/20 0.44
GFER P55789 1/20 0.43
TSHR P16473 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL3070156 0.93 SLC2A1 (0.53) ARCYP19A1PTGDR2CYP11B2CYP11B1
SCHEMBL3070064 0.89 AR (0.65) ARPTGDR2GAAPOLBSLC2A1
SCHEMBL3063670 0.88 AR (0.52) ARPTGDR2POLBSLC2A1
SCHEMBL3080496 0.87 AR (0.50) ARCYP19A1PTGDR2CYP11B2CYP11B1
SCHEMBL3089045 0.87 AR (0.47) ARCYP19A1PTGDR2CYP11B2CYP11B1
SCHEMBL3076763 0.86 AR (0.49) ARCYP19A1PTGDR2CYP11B2CYP11B1
SCHEMBL3081376 0.86 AR (0.49) ARCYP19A1PTGDR2CYP11B2CYP11B1
SCHEMBL3080596 0.86 AR (0.53) ARPTGDR2CYP11B2CYP11B1GAA
SCHEMBL3086576 0.86 AR (0.53) ARPTGDR2CYP11B2CYP11B1
SCHEMBL3083299 0.85 AR (0.43) ARPTGDR2CYP11B2CYP11B1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CYP19A1 12/4885PTGDR2 385/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CYP19A1 12/4885PTGDR2 404/4885

“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.