SCHEMBL3077255

SCHEMBL3077255

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.43
MAP3K14 Q99558 4/20 0.41
SLC22A12 Q96S37 1/20 0.38
ADRA1D P25100 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP1 P29466 1/20 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
SCHEMBL3070043 0.92 AR (0.44) ARMAP3K14SLC22A12PTGDR2GAA
SCHEMBL3083992 0.92 AR (0.46) ARMAP3K14ADRA1DPTGDR2
SCHEMBL3080777 0.91 CASP1 (0.47) ARMAP3K14ADRA1DCASP1
SCHEMBL3083455 0.90 AR (0.48) ARMAP3K14GAAHTTNPSR1
SCHEMBL3074286 0.90 AR (0.43) ARMAP3K14PTGDR2GAAHTT
SCHEMBL3069070 0.89 AR (0.46) ARSLC22A12PTGDR2
SCHEMBL3077659 0.88 AR (0.44) ARMAP3K14SLC22A12ADRA1DPTGDR2
SCHEMBL3088707 0.86 AR (0.44) ARMAP3K14SLC22A12ADRA1DPTGDR2
SCHEMBL3087505 0.86 AR (0.43) ARMAP3K14PTGDR2GAANPSR1
SCHEMBL3077678 0.86 AR (0.46) ARSLC22A12ADRA1DPTGDR2

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 4 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
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 1/4885MAP3K14 2023/4885SLC22A12 1644/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885MAP3K14 2053/4885SLC22A12 1565/4885

“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.