SCHEMBL3086576

SCHEMBL3086576

Cc1nn(Cc2cncc(C#N)c2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
GRIN2B Q13224 9/20 0.41
GRIN1 Q05586 7/20 0.41
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.39
CRHR1 P34998 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL13308508 0.90 AR (0.50) ARGRIN2BGRIN1CYP11B2CYP11B1
SCHEMBL3088592 0.90 AR (0.50) ARCYP11B2CYP11B1CRHR1PTGDR2
SCHEMBL3069849 0.87 AR (0.46) ARGRIN2BGRIN1CYP11B2CYP11B1
SCHEMBL3085330 0.86 AR (0.50) ARCYP11B2CYP11B1PTGDR2
SCHEMBL3089045 0.84 AR (0.47) ARGRIN2BGRIN1CYP11B2CYP11B1
SCHEMBL3070156 0.80 SLC2A1 (0.53) ARCYP11B2CYP11B1PTGDR2
SCHEMBL3080496 0.80 AR (0.50) ARCYP11B2CYP11B1PTGDR2
SCHEMBL6464131 0.79 AR (0.80) ARGRIN2BGRIN1CYP11B2CYP11B1
SCHEMBL3081376 0.79 AR (0.49) ARCYP11B2CYP11B1PTGDR2
SCHEMBL3076763 0.79 AR (0.49) ARCYP11B2CYP11B1PTGDR2

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 7 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
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 1/4885GRIN2B 502/4885GRIN1 478/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885GRIN2B 498/4885GRIN1 469/4885

“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.