SCHEMBL3085969

SCHEMBL3085969

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.45
LMNA P02545 3/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
BRD4 O60885 1/20 0.37
VCAM1 P19320 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3070056 0.88 ALDH1A1 (0.45) ARHTT
SCHEMBL3083374 0.87 LMNA (0.46) ARLMNAVCAM1HTTMEN1
SCHEMBL3069345 0.86 AR (0.39) ARLMNAPTGDR2HTT
SCHEMBL3080493 0.84 AR (0.45) ARLMNAPTGDR2VCAM1HTT
SCHEMBL3076224 0.83 MAPT (0.43) ARLMNAVCAM1HTTMEN1
SCHEMBL3087297 0.83 AR (0.62) AR
SCHEMBL3070012 0.83 AR (0.50) ARPTGDR2MEN1KMT2A
SCHEMBL3077678 0.83 AR (0.46) ARPTGDR2
SCHEMBL3083992 0.83 AR (0.46) ARPTGDR2
SCHEMBL3082378 0.82 AR (0.46) ARPTGDR2HTTMEN1KMT2A

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 7 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
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

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 1/4885LMNA 4608/4885PTGDR2 385/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885LMNA 4607/4885PTGDR2 404/4885

“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.