SCHEMBL21914340

SCHEMBL21914340

CC1CNCc2nnc(C3COC(C)(C)O3)n21

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL20497409 0.72 MEN1 (0.31) —
SCHEMBL21914653 0.67 SPHK1 (0.36) —
SCHEMBL21914658 0.66 — —
SCHEMBL16790003 0.62 — —
SCHEMBL16812698 0.62 PARP1 (0.30) PARP1
SCHEMBL5935841 0.62 HTR2A (0.31) —
SCHEMBL21914211 0.59 P2RX7 (0.37) PARP1
SCHEMBL21915013 0.59 PBRM1 (0.40) PARP1
SCHEMBL21914377 0.59 ALDH1A1 (0.40) PARP1
SCHEMBL13618950 0.58 — —

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-10597399-B2 Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-03-24 — — 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-10597399-B2 Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof PARP1, PARP11, PARP2 PARP1 1/4885

“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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