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Sugi Predict / Compounds / SCHEMBL2861203

SCHEMBL2861203

SCHEMBL2861203

CNC(=O)CCCOc1cc(OC)cc2[nH]c(=O)c3c(N)n(-c4ccccc4C)nc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.38
▸ HDAC3 O15379 6/20 0.38
▸ HDAC4 P56524 6/20 0.38
▸ HDAC7 Q8WUI4 6/20 0.38
▸ HDAC2 Q92769 6/20 0.38
▸ HDAC10 Q969S8 6/20 0.38
▸ HDAC11 Q96DB2 6/20 0.38
▸ HDAC8 Q9BY41 6/20 0.38
▸ HDAC6 Q9UBN7 6/20 0.38
▸ HDAC9 Q9UKV0 6/20 0.38
▸ HDAC5 Q9UQL6 6/20 0.38
▸ BRD4 O60885 5/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ PARP1 P09874 2/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL2863014 0.92 PDE3B (0.36) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2869345 0.92 BRD4 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2861602 0.91 FABP3 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2868304 0.91 THRB (0.35) BRD4PARP1THRBHTT
SCHEMBL2859974 0.89 PDE3B (0.36) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2868484 0.89 PTPN1 (0.39) BRD4PDE3BPDE3AP2RY12PARP1
SCHEMBL2865147 0.89 BRD4 (0.36) BRD4PARP1SCN9ALMNAHTT
SCHEMBL2858318 0.88 PDE2A (0.35) BRD4PARP1SCN9ALMNAHTT
SCHEMBL2862702 0.87 SCN9A (0.39) BRD4PARP1SCN9ALMNAHTT
SCHEMBL13025356 0.86 KDM4E (0.39) BRD4PARP1SCN9ATHRBHTT

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 HDAC1 1182/4885HDAC3 1155/4885HDAC4 1283/4885

“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.