SCHEMBL3083992

SCHEMBL3083992

Cc1nn(Cc2ccc(F)c(C(=O)Cl)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.46
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.38
ADRA1D P25100 1/20 0.38
MAP3K14 Q99558 2/20 0.37
CACNA1H O95180 2/20 0.37

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
SCHEMBL3077678 0.93 AR (0.46) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3075945 0.92 ADRA1D (0.46) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3077255 0.92 AR (0.43) ARPTGDR2ADRA1DMAP3K14
SCHEMBL3069286 0.90 AR (0.43) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3082378 0.90 AR (0.46) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3074118 0.88 AR (0.46) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3069070 0.86 AR (0.46) ARPTGDR2
SCHEMBL3074127 0.86 AR (0.45) ARSLC2A1SLC2A2SLC2A3PTGDR2
SCHEMBL3077659 0.86 AR (0.44) ARPTGDR2ADRA1DMAP3K14
SCHEMBL3070043 0.86 AR (0.44) ARPTGDR2MAP3K14

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 1/4885SLC2A1 3366/4885SLC2A2 3658/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885SLC2A1 3345/4885SLC2A2 3629/4885

“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.