SCHEMBL3085879

SCHEMBL3085879

Cc1nn(Cc2ccc(Br)cn2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.45
SLC2A2 P11168 3/20 0.45
SLC2A3 P11169 3/20 0.45
SLC2A4 P14672 2/20 0.45
CYP11B2 P19099 3/20 0.40
AR P10275 7/20 0.39
GRM2 Q14416 1/20 0.36
CRHR1 P34998 1/20 0.35
CNR1 P21554 2/20 0.34
GAA P10253 1/20 0.34
CYP11B1 P15538 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL13309176 0.86 CYP11B2 (0.40) SLC2A1SLC2A2SLC2A3SLC2A4CYP11B2
SCHEMBL3089383 0.83 AR (0.44) SLC2A1SLC2A2SLC2A3SLC2A4CYP11B2
SCHEMBL3083312 0.81 AR (0.46) CYP11B2ARCRHR1CYP11B1
SCHEMBL3076763 0.79 AR (0.49) SLC2A1SLC2A2SLC2A3CYP11B2AR
SCHEMBL3085330 0.79 AR (0.50) SLC2A1CYP11B2ARCNR1GAA
SCHEMBL3088592 0.78 AR (0.50) SLC2A1SLC2A2SLC2A3CYP11B2AR
SCHEMBL3069283 0.77 CYP11B2 (0.41) CYP11B2ARCRHR1CNR1GAA
SCHEMBL3080496 0.75 AR (0.50) CYP11B2ARCNR1CYP11B1
SCHEMBL3086576 0.74 AR (0.53) CYP11B2ARCRHR1CYP11B1
SCHEMBL3075829 0.74 AR (0.44) CYP11B2ARCRHR1CNR1GAA

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 SLC2A1 3366/4885SLC2A2 3658/4885SLC2A3 3131/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 SLC2A1 3345/4885SLC2A2 3629/4885SLC2A3 3114/4885

“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.