Sugi Predict

Sugi Predict / Compounds / SCHEMBL3077518

SCHEMBL3077518

SCHEMBL3077518

Cc1nn(Cc2cc(Cl)ccc2Cl)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ PGR P06401 2/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ MAP3K14 Q99558 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL3085319 0.91 LMNA (0.47) ARALDH1A1JAK2LMNATP53
SCHEMBL3075150 0.90 AR (0.47) ARALDH1A1JAK2LMNATP53
SCHEMBL3070012 0.87 AR (0.50) ARALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL3089228 0.86 AR (0.44) ARALDH1A1JAK2LMNATP53
SCHEMBL3082085 0.85 AR (0.48) ARKMT2AGAAMEN1NSD2
SCHEMBL3076734 0.85 AR (0.50) ARALDH1A1KMT2AKDM4EHPGD
SCHEMBL3082370 0.84 SLC22A12 (0.47) ARALDH1A1JAK2LMNATP53
SCHEMBL3070091 0.83 AR (0.47) ARALDH1A1LMNATP53HTT
SCHEMBL3081229 0.83 AR (0.50) ARALDH1A1LMNAKDM4EGAA
SCHEMBL3077429 0.83 AR (0.50) ARALDH1A1TP53SMN1; SMN2KMT2A

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 1/4885ALDH1A1 809/4885JAK2 437/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885ALDH1A1 816/4885JAK2 430/4885

“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.