SCHEMBL3086574

SCHEMBL3086574

Cc1nn(Cc2ccc(F)cc2F)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.55
LMNA P02545 1/20 0.43
KCNK3 O14649 1/20 0.41
CYP11B2 P19099 2/20 0.41
PGR P06401 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.38
CNR1 P21554 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
SCHEMBL3083168 0.93 AR (0.56) ARLMNACYP11B2MEN1KMT2A
SCHEMBL3087668 0.90 AR (0.48) ARLMNACYP11B2PTGDR2
SCHEMBL13309145 0.89 AR (0.44) ARLMNAKCNK3PTGDR2CNR1
SCHEMBL3087297 0.87 AR (0.62) ARCYP11B2
SCHEMBL3085319 0.84 LMNA (0.47) ARLMNAPTGDR2MEN1KMT2A
SCHEMBL3086188 0.83 AR (0.53) ARLMNACYP11B2MEN1KMT2A
SCHEMBL3075150 0.83 AR (0.47) ARLMNACYP11B2PTGDR2MEN1
SCHEMBL3082085 0.83 AR (0.48) ARCYP11B2PGRMEN1KMT2A
SCHEMBL3083349 0.82 AR (0.60) ARCYP11B2PGRMEN1KMT2A
SCHEMBL3077518 0.82 AR (0.47) ARLMNACYP11B2PGRPTGDR2

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
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
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 1/4885LMNA 4608/4885KCNK3 845/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885LMNA 4607/4885KCNK3 855/4885

“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.