SCHEMBL5744700

SCHEMBL5744700

CSc1cc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.53
PDE4A P27815 1/20 0.53
PDE4D Q08499 1/20 0.53
HPGDS O60760 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5745282 0.93 PDE4B (0.53) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5747354 0.91 PDE4B (0.51) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5745862 0.89 PDE4B (0.51) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5839620 0.88 PDE4B (0.59) PDE4BPDE4APDE4D
SCHEMBL5839612 0.88 PDE4B (0.59) PDE4BPDE4APDE4D
SCHEMBL5748482 0.88 PDE4B (0.52) PDE4BPDE4APDE4DHPGDS
SCHEMBL5746330 0.87 PDE4B (0.49) PDE4BPDE4APDE4DHPGDSCYP3A4
SCHEMBL5747017 0.85 PDE4B (0.50) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL5744020 0.82 PDE4B (0.50) PDE4BPDE4APDE4DHPGDS
SCHEMBL5744843 0.81 PDE4B (0.50) PDE4BPDE4APDE4DHPGDS

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
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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 (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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4D 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.