SCHEMBL3081376

SCHEMBL3081376

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.41
NSD2 O96028 1/20 0.41
BRD4 O60885 1/20 0.40
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HTR2C P28335 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CNR1 P21554 1/20 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
SCHEMBL3076153 0.92 AR (0.47) ARPTGDR2NSD2BRD4GAA
SCHEMBL3271903 0.92 AR (0.47) ARPTGDR2NSD2GAAGFER
SCHEMBL3070012 0.92 AR (0.50) ARPTGDR2NSD2GAAGFER
SCHEMBL3077429 0.92 AR (0.50) ARPTGDR2NSD2GAAGFER
SCHEMBL3087297 0.90 AR (0.62) ARNSD2CYP11B2
SCHEMBL3081423 0.90 AR (0.48) ARPTGDR2NSD2GAAGFER
SCHEMBL3063842 0.90 AR (0.48) ARNSD2GAAGFER
SCHEMBL3074078 0.90 AR (0.48) ARNSD2BRD4GAAGFER
SCHEMBL3076734 0.89 AR (0.50) ARPTGDR2NSD2GAAGFER
SCHEMBL3081229 0.89 AR (0.50) ARNSD2GAA

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 1/4885PTGDR2 385/4885NSD2 336/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885PTGDR2 404/4885NSD2 381/4885

“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.