SCHEMBL5839620

SCHEMBL5839620

CSc1cc(Oc2ncc(F)cc2C(=O)NC2CCC(O)CC2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.59
PDE4A P27815 1/20 0.59
PDE4D Q08499 1/20 0.59
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
JAK1 P23458 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
SCHEMBL5839612 1.00 PDE4B (0.59) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5840058 0.93 PDE4B (0.59) PDE4BPDE4APDE4D
SCHEMBL5840064 0.93 PDE4B (0.59) PDE4BPDE4APDE4D
SCHEMBL5840082 0.90 PDE4B (0.56) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5840085 0.90 PDE4B (0.56) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5744700 0.88 PDE4B (0.53) PDE4BPDE4APDE4D
SCHEMBL5816575 0.87 PDE4B (0.55) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5816584 0.87 PDE4B (0.55) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5777953 0.87 PDE4B (0.58) PDE4BPDE4APDE4DJAK2NTRK1
SCHEMBL5777948 0.87 PDE4B (0.58) PDE4BPDE4APDE4DJAK2NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A PDE4B 8/4885PDE4A 6/4885PDE4D 72/4885

“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.