SCHEMBL3540324

SCHEMBL3540324

COc1cccc(Cn2cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c3cccnc32)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.71
▸ PDE4B Q07343 9/20 0.71
▸ PDE4C Q08493 9/20 0.71
▸ PDE4D Q08499 9/20 0.71
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ ADRA1D P25100 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40

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
SCHEMBL5559271 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5553051 0.89 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223861 0.86 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5559108 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5557937 0.85 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5557985 0.84 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DKCNH2
Elbimilast SCHEMBL1865431 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTP53
Elbimilast SCHEMBL29372217 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3536746 0.83 MAPT (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5557942 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKCNH2

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 10 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
US-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 — — US disclosed
US-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 — — US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 — — US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 — — US disclosed
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 — — US disclosed
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
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 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 (3 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
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885

“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