SCHEMBL5559147

SCHEMBL5559147

O=C(O)C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.66
▸ PDE4B Q07343 1/20 0.66
▸ PDE4C Q08493 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ SERPINE1 P05121 2/20 0.56
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ APP P05067 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KAT2B Q92831 1/20 0.43

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
Hydrochloric Acid SCHEMBL9278006 0.99 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSERPINE1
SCHEMBL9278001 0.90 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSERPINE1
SCHEMBL5557953 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7895376 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSERPINE1
SCHEMBL5557916 0.82 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL5557061 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPOLB
Elbimilast SCHEMBL29372217 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5552765 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPOLB
Elbimilast SCHEMBL1865431 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5557018 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 — — US claimed
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 — — US claimed

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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.

Send feedback