Sugi Predict

Sugi Predict / Compounds / SCHEMBL2856161

SCHEMBL2856161

SCHEMBL2856161

COc1ccc(Cl)c(-n2cc(C(=O)O)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.45
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AKR1C3 P42330 4/20 0.41
▸ AKR1C2 P52895 4/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL2869364 0.84 MEN1 (0.39) MAPK1GAAHTTNPSR1MAPT
SCHEMBL2867410 0.73 LMNA (0.63) EIF4ENPSR1MAPTALDH1A1AURKA
SCHEMBL6649194 0.66 HSP90AA1 (0.47) EIF4EMAPK1GAAHTTNPSR1
SCHEMBL6649633 0.65 CTSV (0.56) EIF4EMAPK1GAAHTTNPSR1
SCHEMBL6203061 0.65 MAPK1 (0.62) MAPK1GAAHTTNPSR1MAPT
SCHEMBL6648363 0.65 CTSV (0.59) GAANPSR1MAPTKDM4EALDH1A1
SCHEMBL269614 0.65 AKR1C3 (0.63) MAPK1MAPTKDM4EALDH1A1AKR1C3
SCHEMBL147187 0.65 AKR1C3 (0.63) MAPK1MAPTKDM4EALDH1A1AKR1C3
SCHEMBL30580504 0.65 AKR1C3 (0.63) MAPK1MAPTKDM4EALDH1A1AKR1C3
SCHEMBL591202 0.64 TPMT (0.55) HTTNPSR1MAPTALDH1A1AKR1C3

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-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 — — US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 — — US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 — — US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 — — US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 — — US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 — — US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 — — EP 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 (1 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 EIF4E 3046/4885MAPK1 58/4885GAA 4868/4885

“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.