SCHEMBL18787327

SCHEMBL18787327

CCOc1nc(N=[N+]=[N-])nn2c([C@@H]3O[C@@H]4C(OCc5ccccc5)[C@]4(OCc4ccccc4)[C@H]3F)cnc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.32

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
SCHEMBL18788255 0.83 TP53 (0.31) —
SCHEMBL20404016 0.79 PDE2A (0.40) BCHE
SCHEMBL20653922 0.76 PDE2A (0.32) —
SCHEMBL15257403 0.73 — —
SCHEMBL23773198 0.72 PDE2A (0.30) —
SCHEMBL23773182 0.72 PDE2A (0.30) —
SCHEMBL23369085 0.69 BCHE (0.34) BCHE
SCHEMBL19778888 0.66 — —
SCHEMBL19779077 0.66 — —
SCHEMBL20653964 0.63 PDE2A (0.47) BCHE

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-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-04-27 — — 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-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT BCHE 876/4885

“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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