SCHEMBL3077291

SCHEMBL3077291

Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
MAP3K14 Q99558 4/20 0.39
NR3C2 P08235 3/20 0.36
RET P07949 1/20 0.36
GAA P10253 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
DRD1 P21728 1/20 0.35
CYP11B2 P19099 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL3069875 0.81 AR (0.44) ARMAP3K14GAANSD2
SCHEMBL12079955 0.78 ATR (0.48) NR3C2EGLN2CYP11B2CYP4F2CYP4A11
SCHEMBL3080570 0.77 AR (0.44) ARMAP3K14GAANSD2
SCHEMBL1817470 0.77 RXRA (0.40) ARNR3C2RETEGLN2CYP11B2
SCHEMBL12079232 0.74 RXRA (0.38) ARNR3C2RETEGLN2CYP11B2
SCHEMBL14722631 0.74 RET (0.39) RETGAADRD1CYP4F2CYP4A11
SCHEMBL3082422 0.73 AR (0.43) ARNR3C2DRD1
SCHEMBL31458725 0.71 GAA (0.37) GAADRD1CYP4F2CYP4A11
SCHEMBL13812030 0.70 GAA (0.39) RETGAACYP4F2CYP4A11
SCHEMBL3088652 0.69 PGR (0.45) ARMAP3K14

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 3 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
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

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 1/4885MAP3K14 2023/4885NR3C2 3/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885MAP3K14 2053/4885NR3C2 3/4885

“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.