SCHEMBL5553052

SCHEMBL5553052

O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cn(CC2CC2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.54
▸ PDE4B Q07343 2/20 0.54
▸ PDE4C Q08493 2/20 0.54
▸ PDE4D Q08499 2/20 0.54
▸ F10 P00742 1/20 0.37
▸ HTR3A P46098 3/20 0.37
▸ CFD P00746 5/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35

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
SCHEMBL5557051 0.88 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5557204 0.84 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5557124 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL5553053 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL5559123 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL1860711 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5756693 0.82 CNR1 (0.46) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5552928 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL5558009 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5557057 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DHTR3A

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-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2007-07-12 — — US claimed
US-7211583-B2 7-azaindoles and the use thereof as therapeutic agents ELBION AG (DE) 2007-05-01 — — US claimed
JP-2006524209-A — — 2006-10-26 — — JP claimed
EP-1613627-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS Elbion AG (DE) 2006-01-11 — — EP claimed
US-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2004-11-11 — — US claimed
WO-2004094416-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS ELBION AG (DE) 2004-11-04 — — WO 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 (2 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-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D PDE4A 2/4885PDE4B 1/4885PDE4C 4/4885
US-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D PDE4A 2/4885PDE4B 1/4885PDE4C 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.

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