SCHEMBL3774097

SCHEMBL3774097

Fc1ccc(CNc2nc(Cl)nc3ccsc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 0.55
▸ PDE4B Q07343 17/20 0.55
▸ PDE4C Q08493 17/20 0.55
▸ PDE4D Q08499 17/20 0.55
▸ PDE3B Q13370 8/20 0.52
▸ PDE3A Q14432 8/20 0.52
▸ USP1 O94782 1/20 0.47
▸ WDR48 Q8TAF3 1/20 0.47
▸ PDE5A O76074 1/20 0.46
▸ APP P05067 1/20 0.46

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
SCHEMBL21567217 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL23498518 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7070989 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399061 0.79 MEN1 (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092963 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567304 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399014 0.77 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL23498669 0.77 ADORA2A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28354910 0.76 LRRK2 (0.48) —
SCHEMBL20402660 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 — — 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 PDE4A 1342/4885PDE4B 681/4885PDE4C 1416/4885

“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.

Send feedback