SCHEMBL5552782

SCHEMBL5552782

Cc1[nH]c(=O)n(C)c(=O)c1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.65
▸ PDE4B Q07343 2/20 0.65
▸ PDE4C Q08493 2/20 0.65
▸ PDE4D Q08499 2/20 0.65
▸ FSCN1 Q16658 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR2 P34972 5/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38

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
SCHEMBL5559117 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DFSCN1
SCHEMBL6220733 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DFSCN1
Elbimilast SCHEMBL29372217 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
Elbimilast SCHEMBL1865431 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL5557061 0.77 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DFSCN1
SCHEMBL1860711 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6222741 0.76 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DFSCN1
SCHEMBL5559243 0.75 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL5557916 0.75 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL9278001 0.75 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DRXFP1

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
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
EP-1330455-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME Elbion AG (DE) 2003-07-30 — — EP claimed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 — — WO 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 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-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.

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