SCHEMBL3083299

SCHEMBL3083299

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
PI4KB Q9UBF8 1/20 0.42
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SLC2A1 P11166 3/20 0.40
SLC2A3 P11169 2/20 0.40
SLC2A4 P14672 1/20 0.40
NSD2 O96028 1/20 0.40
BRD4 O60885 1/20 0.39
SLC2A2 P11168 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
SCHEMBL3081376 0.87 AR (0.49) ARCYP11B1CYP11B2PTGDR2NSD2
SCHEMBL3070032 0.87 AR (0.48) ARSLC2A1SLC2A3SLC2A4NSD2
SCHEMBL3085330 0.85 AR (0.50) ARCYP11B1CYP11B2PTGDR2SLC2A1
SCHEMBL3082087 0.85 CYP11B2 (0.47) ARCYP11B1CYP11B2PTGDR2SLC2A1
SCHEMBL3070156 0.84 SLC2A1 (0.53) ARCYP11B1CYP11B2PTGDR2SLC2A1
SCHEMBL3075678 0.83 AR (0.44) ARCYP11B1CYP11B2SLC2A1SLC2A3
SCHEMBL3087297 0.82 AR (0.62) ARCYP11B2SLC2A1NSD2
SCHEMBL3076153 0.80 AR (0.47) ARCYP11B2PTGDR2NSD2BRD4
SCHEMBL3271903 0.80 AR (0.47) ARPTGDR2NSD2
SCHEMBL3075801 0.80 AR (0.40) ARCYP11B1CYP11B2PTGDR2SLC2A1

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 1/4885PI4KB 3264/4885CYP11B1 15/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885PI4KB 3198/4885CYP11B1 15/4885

“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.