SCHEMBL6405046

SCHEMBL6405046

CC1(C)CC(c2cccc(N)c2)=NNC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
HRH3 Q9Y5N1 4/20 0.44
KCNH2 Q12809 2/20 0.44
PDE4B Q07343 3/20 0.39
TDP2 O95551 1/20 0.38
BRD4 O60885 2/20 0.36
MAOA P21397 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CREBBP Q92793 1/20 0.35
MAP4K4 O95819 1/20 0.35
METAP2 P50579 1/20 0.35
ENPP2 Q13822 1/20 0.35
AXL P30530 2/20 0.34
MEN1 O00255 1/20 0.34
PSIP1 O75475 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
SCHEMBL20138742 0.82 HRH3 (0.53) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL5183107 0.75 PDE3A (0.44) PDE3BPDE3APDE4BTDP2BRD4
SCHEMBL5183009 0.74 TDP2 (0.41) PDE3BPDE3AHRH3PDE4BTDP2
SCHEMBL8714845 0.73 HRH3 (0.44) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL11568277 0.73 HRH3 (0.50) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL20159394 0.73 HRH3 (0.50) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL6406401 0.71 KDR (0.51) HRH3MEN1
SCHEMBL20529210 0.70 PDE4B (0.55) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL21821442 0.70 PDE4B (0.55) PDE3BPDE3AHRH3KCNH2PDE4B
SCHEMBL10867832 0.69 HRH3 (0.44) HRH3KCNH2PDE4B

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-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
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 PDE3B 1587/4885PDE3A 1579/4885HRH3 624/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 PDE3B 2756/4885PDE3A 2418/4885HRH3 364/4885

“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.