SCHEMBL540727

SCHEMBL540727

COc1ccc2nc(C)n(-c3ccccn3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.46
PDE2A O00408 9/20 0.46
PDE5A O76074 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
DPP4 P27487 1/20 0.40
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39

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
SCHEMBL540982 0.80 PDE10A (0.50) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL20398261 0.74 PIK3CD (0.51) PDE10A
SCHEMBL540845 0.71 MAPK1 (0.59) DPP4
SCHEMBL12628808 0.68 KDM4E (0.46) DPP4
SCHEMBL7908125 0.68 PDE2A (0.67) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL14363785 0.68 DHFR (0.45) PDE10APDE2APDE5APDE7APDE11A
SCHEMBL20398244 0.68 MAP3K14 (0.44) PDE10ADPP4
SCHEMBL12628767 0.67 ALDH1A1 (0.47) PDE10A
SCHEMBL1963616 0.67 SMN1; SMN2 (0.72) DPP4
SCHEMBL30454814 0.67 SMN1; SMN2 (0.72) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 PDE10A 1638/4885PDE2A 528/4885PDE5A 956/4885

“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.