SCHEMBL6778879

SCHEMBL6778879

CNc1nc(-c2cccc(NC(=O)c3ccccc3)c2)c2cc(O)c(OC)cc2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.75
PDE4B Q07343 1/20 0.75
PDE4C Q08493 1/20 0.75
PDE4D Q08499 1/20 0.75
AURKB Q96GD4 2/20 0.47
EGFR P00533 1/20 0.47
MAPK14 Q16539 1/20 0.47
KCNK9 Q9NPC2 3/20 0.47
KCNK3 O14649 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
AURKA O14965 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
POLB P06746 4/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NLRP3 Q96P20 1/20 0.45
ATM Q13315 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL296765 0.93 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DAURKB
SCHEMBL12621345 0.88 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DAURKB
SCHEMBL296279 0.88 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DAURKB
SCHEMBL1942230 0.88 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL1942916 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DAURKB
SCHEMBL371380 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DEGFR
Hydrochloric Acid SCHEMBL296658 0.87 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DAURKB
SCHEMBL1940353 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL297387 0.87 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL1943209 0.86 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DAURKB

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.