SCHEMBL1386597

SCHEMBL1386597

Cc1cc(C2=NNC(=O)CC2)c2c(c1)N(C)C(=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 18/20 1.00
PDE3B Q13370 17/20 1.00
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7341594 0.79 PDE3B (0.66) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7350623 0.79 PDE3B (0.66) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL2071896 0.78 PDE3B (1.00) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7347277 0.77 PDE3B (1.00) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7341535 0.72 PDE3B (1.00) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10267004 0.69 PDE3B (0.52) PDE3APDE3BPDE4D
SCHEMBL20278399 0.69 PDE3B (0.52) PDE3APDE3BPDE4D
SCHEMBL7350099 0.69 PDE3A (0.53) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7343962 0.68 PDE3B (0.68) PDE3APDE3BPDE4D
SCHEMBL422356 0.67 PDE3B (0.50) PDE3APDE3BPDE4D

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP claimed
JP-4790703-B2 2011-10-12 JP claimed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP claimed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US claimed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP claimed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO claimed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP claimed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US claimed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R PDE3A 1060/4885PDE3B 937/4885PDE4B 1580/4885

“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.