Sugi Predict

Sugi Predict / Compounds / SCHEMBL3083311

SCHEMBL3083311

SCHEMBL3083311

Cc1nn(Cc2ccc(Oc3ccccc3)nc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ AR P10275 8/20 0.41
▸ GRM2 Q14416 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ TSHR P16473 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
SCHEMBL3081189 0.86 AR (0.42) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3063842 0.85 AR (0.48) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3081229 0.85 AR (0.50) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3081387 0.84 PTGDR2 (0.51) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3076082 0.84 AR (0.45) ARNSD2CYP11B1CYP11B2
SCHEMBL3076078 0.83 AR (0.44) ARNSD2CYP11B2TSHR
SCHEMBL3070070 0.83 AR (0.44) ARPTGDR2NSD2CYP11B1CYP11B2
SCHEMBL3082069 0.83 MRGPRX4 (0.44) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3087463 0.81 CYP1A2 (0.47) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3076198 0.81 AR (0.43) ARPTGDR2NSD2

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 GRN 3527/4885SORT1 4654/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 GRN 3514/4885SORT1 4642/4885AR 1/4885

“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.