Sugi Predict

Sugi Predict / Compounds / SCHEMBL3070146

SCHEMBL3070146

SCHEMBL3070146

Cc1nn(Cc2ccc(-c3ccccn3)s2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.41
▸ CYP11B2 P19099 4/20 0.37
▸ PTAFR P25105 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ CYP11B1 P15538 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PGR P06401 1/20 0.32

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
SCHEMBL3070089 0.84 AR (0.41) ARCYP11B2NSD2MAPTTP53
SCHEMBL3083239 0.84 AR (0.41) ARCYP11B2NSD2NPC1MAPT
SCHEMBL3077545 0.83 AR (0.46) ARCYP11B2NSD2CYP11B1MAPT
SCHEMBL3077479 0.79 AR (0.43) ARCYP11B2NSD2EGLN2
SCHEMBL3081229 0.79 AR (0.50) ARNSD2NPC1TSHRKDM4E
SCHEMBL3082391 0.79 AR (0.46) ARCYP11B2NSD2NPC1MAPT
SCHEMBL3083850 0.79 AR (0.46) ARCYP11B2NSD2CYP11B1MEN1
SCHEMBL3063842 0.77 AR (0.48) ARNSD2TSHRKDM4E
SCHEMBL3082085 0.77 AR (0.48) ARCYP11B2NSD2MEN1KMT2A
SCHEMBL3082323 0.77 AR (0.42) ARCYP11B2NSD2

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 1/4885CYP11B2 13/4885PTAFR 1694/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885CYP11B2 13/4885PTAFR 1654/4885

“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.