SCHEMBL3076093

SCHEMBL3076093

Cc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.62
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
PHGDH O43175 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL3089353 0.92 AR (0.51) AR
SCHEMBL3088544 0.92 AR (0.51) AR
SCHEMBL3081332 0.92 AR (0.53) ARLMNAHPGDPKMIDO1
SCHEMBL3089209 0.91 AR (0.51) ARHPGDHRH3
SCHEMBL3086014 0.91 AR (0.52) ARLMNAHPGDGAACYP3A4
SCHEMBL3082413 0.89 AR (0.50) ARLMNAHPGDCYP3A4CYP2C19
SCHEMBL13309120 0.86 HPGD (0.46) ARLMNAHPGDGAACYP3A4
SCHEMBL3085294 0.85 AR (0.47) ARLMNAGAATSHRPKM
SCHEMBL3076101 0.85 AR (0.48) ARLMNAUSP2TSHR
SCHEMBL3076106 0.84 AR (0.56) AR

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 1/4885LMNA 4608/4885HPGD 669/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885LMNA 4607/4885HPGD 708/4885

“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.