SCHEMBL3069283

SCHEMBL3069283

Cc1nn(Cc2cc(C)n(C)n2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.41
CRHR1 P34998 1/20 0.39
AR P10275 8/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NSD2 O96028 1/20 0.34
CNR1 P21554 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
SCHEMBL3074142 0.82 AR (0.47) CYP11B2ARBRD4KDM4EALDH1A1
SCHEMBL3069854 0.81 CRHR1 (0.41) CYP11B2CRHR1ARBRD4NSD2
SCHEMBL3085330 0.81 AR (0.50) CYP11B2ARPTGDR2GAACNR1
SCHEMBL3083312 0.79 AR (0.46) CYP11B2CRHR1ARBRD4KDM4E
SCHEMBL3089045 0.78 AR (0.47) CYP11B2CRHR1ARPTGDR2BRD4
SCHEMBL3085879 0.77 SLC2A1 (0.45) CYP11B2CRHR1ARGAACNR1
SCHEMBL13309176 0.77 CYP11B2 (0.40) CYP11B2CRHR1ARCNR1
SCHEMBL3086576 0.77 AR (0.53) CYP11B2CRHR1ARPTGDR2
SCHEMBL3070156 0.76 SLC2A1 (0.53) CYP11B2ARPTGDR2KDM4EALDH1A1
SCHEMBL3069953 0.76 CYP11B2 (0.41) CYP11B2CRHR1ARNSD2

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN 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
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 CYP11B2 13/4885CRHR1 52/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CYP11B2 13/4885CRHR1 52/4885AR 1/4885

“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.