SCHEMBL5552779

SCHEMBL5552779

O=C(Nc1c(Cl)cncc1Cl)c1cn(CC2CC2)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.55
▸ PDE4B Q07343 7/20 0.55
▸ PDE4C Q08493 6/20 0.55
▸ PDE4D Q08499 6/20 0.55
▸ KCNH2 Q12809 1/20 0.53
▸ ELANE P08246 1/20 0.46
▸ HTR3A P46098 4/20 0.43
▸ F10 P00742 1/20 0.43
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ ABCB11 O95342 1/20 0.39

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 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223554 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5557262 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5553028 0.82 PDE4B (0.56) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5552794 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5559134 0.80 CNR2 (0.59) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL24437232 0.80 HTR3A (0.46) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL3534667 0.79 HTR3A (0.47) ELANEHTR3ACNR2CNR1
SCHEMBL5557942 0.79 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL1606716 0.78 NPC1 (0.49) ELANECNR2CNR1

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 4 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-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — 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 (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-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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 PDE4A 2283/4885PDE4B 2265/4885PDE4C 2588/4885

“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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