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SCHEMBL2862702

SCHEMBL2862702

COCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.39
▸ PARP1 P09874 4/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BRD1 O95696 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 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
SCHEMBL2858318 0.96 PDE2A (0.35) SCN9APARP1BRD4HTTKMT2A
SCHEMBL2865147 0.91 BRD4 (0.36) SCN9APARP1BRD4HTTKMT2A
SCHEMBL2863158 0.90 ABCG2 (0.43) PARP1BRD4HTTKMT2AADORA3
SCHEMBL2869345 0.90 BRD4 (0.38) SCN9APARP1BRD4HTTKMT2A
SCHEMBL2861602 0.89 FABP3 (0.40) SCN9APARP1BRD4BRD1BRD2
SCHEMBL2871102 0.89 MMP13 (0.38) BRD4HTTKMT2AADORA3ABCG2
SCHEMBL2863014 0.88 PDE3B (0.36) SCN9APARP1BRD4BRD1BRD2
SCHEMBL2863760 0.88 MPO (0.37) PARP1BRD4HTTKMT2APDE5A
SCHEMBL2868484 0.87 PTPN1 (0.39) PARP1BRD4PDE2AKDM4EALDH1A1
SCHEMBL2861203 0.87 HDAC1 (0.38) SCN9APARP1BRD4HTTBRD1

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 SCN9A 3939/4885PARP1 2258/4885BRD4 428/4885

“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.