SCHEMBL3083308

SCHEMBL3083308

Cc1nn(Cc2cnc(Cl)c(C(=O)N3CCCC3)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.39
MTOR P42345 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CA P42336 1/20 0.34
CASP1 P29466 1/20 0.34
MAP3K14 Q99558 2/20 0.34
NSD2 O96028 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1H O95180 1/20 0.34
KDM1A O60341 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
SCHEMBL3069966 0.88 AR (0.41) ARCASP1NSD2POLB
SCHEMBL3089361 0.87 CASP1 (0.48) ARCASP1MAP3K14NSD2
SCHEMBL3089353 0.86 AR (0.51) ARCYP11B1CYP11B2MAP3K14KDM1A
SCHEMBL3081272 0.85 AR (0.44) ARCASP1POLB
SCHEMBL3089209 0.85 AR (0.51) ARCYP11B1CYP11B2MAP3K14KDM1A
SCHEMBL3070072 0.85 KDM4E (0.39) ARCYP11B1CYP11B2MEN1POLB
SCHEMBL3088544 0.84 AR (0.51) ARCYP11B1CYP11B2MAP3K14
SCHEMBL3069340 0.83 AR (0.46) ARCYP11B1CYP11B2NSD2KMT2A
SCHEMBL3076738 0.81 AR (0.58) ARCYP11B1CYP11B2NSD2KMT2A
SCHEMBL15147304 0.80 AR (0.43) ARCYP11B2CASP1MAP3K14NSD2

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 1/4885MTOR 313/4885PIK3C3 3782/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885MTOR 304/4885PIK3C3 3689/4885

“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.