SCHEMBL6400925

SCHEMBL6400925

CC1C(=O)NN=C(c2cccc(N)c2)C1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
GPR119 Q8TDV5 13/20 0.52
MAOA P21397 1/20 0.38
BRD4 O60885 1/20 0.38
MAP4K4 O95819 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL11472002 0.80 GPR119 (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11383040 0.78 GPR119 (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6866194 0.77 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL5679123 0.77 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6402428 0.75 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6402430 0.75 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6403046 0.75 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1251878 0.72 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2591981 0.69 GPR119 (1.00) GPR119
SCHEMBL2592363 0.69 GPR119 (1.00) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK PDE3B 1587/4885PDE3A 1579/4885PDE4A 784/4885

“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.