SCHEMBL1940967

SCHEMBL1940967

CNc1nc(-c2cccc(N)c2)c2cc(OCc3ccccc3)c(OC)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDPK1 O15530 1/20 0.47
WHR1 P49842 1/20 0.46
ELANE P08246 1/20 0.44
TLR7 Q9NYK1 4/20 0.44
NSD2 O96028 1/20 0.44
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
INSR P06213 1/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL369450 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942369 0.87 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1943805 0.86 PDPK1 (0.48) PDPK1WHR1ELANETLR7KDM1A
SCHEMBL1941528 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1943209 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL12621367 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1941945 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942476 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL22144635 0.81 WHR1 (0.68) PDE4APDE4BPDE4CPDE4DWHR1
SCHEMBL1942827 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DEGFR

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-1052254-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2011-06-15 EP disclosed
EP-1052254-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2011-06-15 EP disclosed
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.