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Sugi Predict / Compounds / SCHEMBL2861961

SCHEMBL2861961

SCHEMBL2861961

COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2cc([N+](=O)[O-])ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ PDE2A O00408 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL2864647 0.87 PDE2A (0.44) PDE2AMAPTALDH1A1KDM4EHTT
SCHEMBL2866719 0.85 PDE2A (0.43) PDE2AMAPTALDH1A1KDM4EHTT
SCHEMBL2864921 0.84 PTGS2 (0.48) CTSVCTSLMAPTALDH1A1PTGS2
SCHEMBL2870546 0.84 PDE2A (0.47) PDE2AMAPTALDH1A1KDM4EHTT
SCHEMBL2862251 0.80 PDE2A (0.42) PDE2AKDM4E
SCHEMBL2857969 0.79 PIK3R1 (0.42) MAPTALDH1A1HTTSMN1; SMN2PIK3R1
SCHEMBL2856015 0.77 PTGS2 (0.57) MAPTALDH1A1PTGS2LMNAMEN1
SCHEMBL2858247 0.76 KDM4E (0.49) PDE2AMAPTALDH1A1KDM4EMEN1
SCHEMBL2861165 0.76 KDM4E (0.49) PDE2AMAPTALDH1A1KDM4EMEN1
SCHEMBL2863002 0.75 KDM4E (0.39) PDE2AMAPTALDH1A1KDM4EHTT

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 CTSV 4400/4885CTSL 3808/4885PDE2A 2228/4885

“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.