SCHEMBL6779398

SCHEMBL6779398

CNc1nc(-c2cccc(Oc3ccccc3)c2)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
WHR1 P49842 2/20 0.53
ADORA2A P29274 4/20 0.52
ADORA1 P30542 3/20 0.52
SCN9A Q15858 1/20 0.50
NUDT1 P36639 1/20 0.49
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
ADORA2B P29275 1/20 0.45
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RIPK2 O43353 1/20 0.43

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
SCHEMBL1942476 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1941945 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL22144635 0.88 WHR1 (0.68) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942369 0.86 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942139 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1940360 0.83 WHR1 (0.55) PDE4APDE4DWHR1ADORA2AMAPT
SCHEMBL16502036 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1943249 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL6774540 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1941528 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DWHR1

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-6800644-B2 PHOSPHODIESTERASE-4 INHIBITOR, AMINOQUINOLINE OR AMINOISOQUINOLINE DERIVATIVES EISAI CO., LTD. (JP) 2004-10-05 US disclosed
US-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds EISAI CO., LTD. 2002-05-09 US disclosed
US-6352989-B1 ENZYME INHIBITORS FOR PHOSPHODIESTERASE EISAI CO., LTD. (JP) 2002-03-05 US disclosed
EP-1052254-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2000-11-15 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-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds PDE4A, PDE4B, PDE5A PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885

“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.