Sugi Predict

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SCHEMBL2859974

SCHEMBL2859974

COc1cc(OCCCC(=O)N(C)C)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ BRD4 O60885 4/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ BRD1 O95696 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL2869345 0.92 BRD4 (0.38) PDE3BPDE3AP2RY12BRD4PARP1
SCHEMBL2861602 0.91 FABP3 (0.40) PDE3BPDE3AP2RY12BRD4PARP1
SCHEMBL2868484 0.91 PTPN1 (0.39) PDE3BPDE3AP2RY12BRD4PARP1
SCHEMBL2863014 0.91 PDE3B (0.36) PDE3BPDE3AP2RY12BRD4PARP1
SCHEMBL2861203 0.89 HDAC1 (0.38) PDE3BPDE3AP2RY12BRD4PARP1
SCHEMBL2865147 0.89 BRD4 (0.36) BRD4PARP1BRD1BRD2PDE2A
SCHEMBL2858318 0.88 PDE2A (0.35) BRD4PARP1BRD1BRD2PDE2A
SCHEMBL2862702 0.87 SCN9A (0.39) BRD4PARP1BRD1BRD2PDE2A
SCHEMBL2863760 0.85 MPO (0.37) BRD4PARP1PDE4APDE4BPDE4C
SCHEMBL2863158 0.84 ABCG2 (0.43) PDE3BPDE3ABRD4PARP1KDM4E

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 PDE3B 1209/4885PDE3A 1611/4885P2RY12 1603/4885

“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.