SCHEMBL6477699

SCHEMBL6477699

COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 1.00
PDE4B Q07343 6/20 1.00
PDE4C Q08493 6/20 1.00
PDE4D Q08499 6/20 1.00
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GUSB P08236 1/20 0.54

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
SCHEMBL15897879 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4842001 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL23496983 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL23496953 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7393011 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL15879951 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL710318 0.80 ATM (0.67) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL30719652 0.80 ATM (0.67) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL15898308 0.77 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL23496959 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DTSHR

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
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO disclosed
EP-0934933-A1 Phthalazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-08-11 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D PDE4A 10/4885PDE4B 11/4885PDE4C 18/4885

“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.