SCHEMBL3082087

SCHEMBL3082087

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
AR P10275 4/20 0.47
SLC2A1 P11166 4/20 0.41
SLC2A3 P11169 3/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A4 P14672 2/20 0.41
CYP11B1 P15538 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1H O95180 1/20 0.39
NAMPT P43490 1/20 0.39
NSD2 O96028 1/20 0.39
KDM1A O60341 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL3081349 0.89 AR (0.57) ARNAMPTPTGDR2
SCHEMBL3069294 0.88 AR (0.50) ARSLC2A1SLC2A3SLC2A4NSD2
SCHEMBL3086693 0.87 AR (0.50) ARNAMPTPTGDR2
SCHEMBL3063710 0.86 AR (0.46) ARCACNA1HNAMPTNSD2PTGDR2
SCHEMBL3083299 0.85 AR (0.43) CYP11B2ARSLC2A1SLC2A3SLC2A2
SCHEMBL3063670 0.83 AR (0.52) ARSLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL3083105 0.82 AR (0.50) ARSLC2A1SLC2A3SLC2A4MEN1
SCHEMBL3075945 0.82 ADRA1D (0.46) ARSLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL3074127 0.82 AR (0.45) ARSLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL3075691 0.81 AR (0.46) ARSLC2A1SLC2A3SLC2A4MEN1

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 CYP11B2 13/4885AR 1/4885SLC2A1 3366/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CYP11B2 13/4885AR 1/4885SLC2A1 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.