SCHEMBL6400233

SCHEMBL6400233

COc1ccc(C2=NNC(=O)CC2(C)C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.52
PDE4A P27815 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9571268 0.86 HRH3 (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6401437 0.82 PDE3B (0.42) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL11366945 0.82 HRH3 (0.42) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6400028 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL14491901 0.79 HRH3 (0.42) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5184219 0.78 HRH3 (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5337178 0.76 MAPT (0.59) PDE4BPDE3BPDE3AHRH3CYP3A4
SCHEMBL5183009 0.76 TDP2 (0.41) PDE4BPDE3BPDE3AHRH3
SCHEMBL5335003 0.72 HRH3 (0.46) PDE4BPDE3BPDE3AHRH3MAPK1
SCHEMBL8720091 0.72 HRH3 (0.41) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO claimed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 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 (2 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 PDE4B 934/4885PDE4A 784/4885PDE4C 1066/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 PDE4B 2528/4885PDE4A 2480/4885PDE4C 2562/4885

“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.