SCHEMBL13587329

SCHEMBL13587329

Cn1c(C#C[C@H]2CC[C@@H](C#CC3CCCCC3)CC2)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.36
▸ PDE7B Q9NP56 2/20 0.36
▸ PNP P00491 4/20 0.36
▸ XDH P47989 3/20 0.35
▸ DHFR P00374 2/20 0.34
▸ HPRT1 P00492 1/20 0.34
▸ TK1 P04183 1/20 0.33

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
SCHEMBL13587326 0.98 PNP (0.38) PDE7APDE7BPNPXDHDHFR
SCHEMBL13587325 0.81 ALDH1A1 (0.33) PNPHPRT1
SCHEMBL13587327 0.79 ALDH1A1 (0.34) PNPHPRT1
SCHEMBL13587321 0.79 GRM5 (0.30) —
SCHEMBL13587319 0.76 GRM5 (0.31) —
SCHEMBL13587322 0.74 ADORA2A (0.45) —
SCHEMBL13587323 0.71 ADORA2A (0.47) —
SCHEMBL13587313 0.71 XDH (0.52) PNPXDHDHFR
SCHEMBL13587324 0.68 XDH (0.43) PNPXDHDHFR
SCHEMBL2982028 0.68 XDH (0.50) PNPXDHDHFRTK1

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-20090299049-A1 Bicyclic Compounds and Their Use REPLIZYME LIMITED (GB) 2009-12-03 — — 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-20090299049-A1 Bicyclic Compounds and Their Use ERCC4, PARP1, ERCC5 PDE7A 2105/4885PDE7B 1741/4885PNP 73/4885

“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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