SCHEMBL5722709

SCHEMBL5722709

COc1ccc(C(=O)Nc2ccncc2)c2cc(-c3ccccn3)oc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.66
PDE4B Q07343 10/20 0.66
PDE4C Q08493 10/20 0.66
PDE4D Q08499 10/20 0.66
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KCNMA1 Q12791 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
PTPN7 P35236 1/20 0.46

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
SCHEMBL5722732 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL5722850 0.85 PDE4D (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL5722795 0.84 CYP1A1 (0.55) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL5723020 0.82 ADRA2A (0.49) PDE4APDE4BPDE4CPDE4DCYP1A1
Hydrochloric Acid SCHEMBL5722796 0.82 CYP1A1 (0.55) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL6948894 0.79 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL7909583 0.76 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5023240 0.76 PDE4B (0.63) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5723067 0.75 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL4702655 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PDE4A 4879/4885PDE4B 4877/4885PDE4C 4882/4885

“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.