SCHEMBL5557942

SCHEMBL5557942

COc1ccc(Cn2cc(C(=O)Nc3c(Cl)cncc3Cl)c3cccnc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 9/20 0.64
▸ PDE4B Q07343 9/20 0.64
▸ PDE4C Q08493 8/20 0.64
▸ PDE4D Q08499 8/20 0.64
▸ KCNH2 Q12809 1/20 0.50
▸ NR3C1 P04150 3/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ CHRM1 P11229 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RX7 Q99572 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
SCHEMBL5559271 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5557262 0.88 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5552794 0.87 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223648 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL3540324 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5553028 0.81 PDE4B (0.56) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5559108 0.80 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5639906 0.80 PDE4B (0.64) PDE4APDE4BPDE4CPDE4DCHRM1
SCHEMBL5557937 0.80 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5559134 0.79 CNR2 (0.59) 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 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.

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