SCHEMBL3086014

SCHEMBL3086014

Cc1nn(Cc2cncc(C(=O)N3CCOCC3)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
GABRA5 P31644 1/20 0.38
RORC P51449 2/20 0.38
EGLN1 Q9GZT9 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GAA P10253 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MTOR P42345 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL3076093 0.91 AR (0.62) ARLMNAHPGDRORCPKM
SCHEMBL3081332 0.89 AR (0.53) ARLMNAHPGDALDH1A1PKM
SCHEMBL3082413 0.85 AR (0.50) ARLMNAHPGDRORCALDH1A1
SCHEMBL3087465 0.85 AR (0.45) ARCYP11B1CYP11B2
SCHEMBL3086787 0.85 AR (0.47) ARCYP11B1CYP11B2
SCHEMBL3075995 0.83 AR (0.48) ARCYP11B1CYP11B2
SCHEMBL3083949 0.83 AR (0.49) ARCYP11B1CYP11B2
SCHEMBL3070003 0.83 CYP11B1 (0.46) ARCYP11B1CYP11B2ALDH1A1GAA
SCHEMBL3089353 0.83 AR (0.51) ARCYP11B1CYP11B2
SCHEMBL3088544 0.83 AR (0.51) ARCYP11B1CYP11B2

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 1/4885CYP11B1 15/4885CYP11B2 13/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CYP11B1 15/4885CYP11B2 13/4885

“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.