SCHEMBL3077443

SCHEMBL3077443

Cc1nn(Cc2ccccc2C(N)=O)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.58
CASP1 P29466 1/20 0.45
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
ADRA1D P25100 1/20 0.39
MAP3K14 Q99558 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 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
SCHEMBL3069848 0.91 AR (0.47) ARKMT2AGAAMEN1MAP3K14
SCHEMBL3081322 0.89 AR (0.45) ARKMT2AGAAMEN1SMN1; SMN2
SCHEMBL3070069 0.89 AR (0.45) ARKMT2AGAASMN1; SMN2MAPK1
SCHEMBL3069857 0.89 AR (0.47) ARKMT2AGAASMN1; SMN2MAPK1
SCHEMBL3082085 0.86 AR (0.48) ARKMT2AGAAMEN1MAPK1
SCHEMBL3080777 0.85 CASP1 (0.47) ARCASP1ADRA1DMAP3K14
SCHEMBL3075818 0.85 CASP1 (0.47) ARCASP1ADRA1DMAP3K14
SCHEMBL3085294 0.84 AR (0.47) ARKMT2AGAAMEN1POLB
SCHEMBL3081349 0.83 AR (0.57) ARCASP1ADRA1DMAP3K14
SCHEMBL27815932 0.82 AR (0.44) ARCASP1ADRA1DMAP3K14SMN1; SMN2

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 9 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
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 1/4885CASP1 3941/4885KMT2A 1764/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CASP1 3925/4885KMT2A 1801/4885

“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.