SCHEMBL20497409

SCHEMBL20497409

CC1CNCc2nnc(C3CC3)n21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21914652 0.78 THRB (0.44) —
SCHEMBL21914658 0.75 — —
SCHEMBL21914340 0.72 PARP1 (0.36) —
SCHEMBL16790003 0.71 — —
SCHEMBL5935841 0.71 HTR2A (0.31) —
SCHEMBL16812698 0.71 PARP1 (0.30) —
SCHEMBL21915013 0.67 PBRM1 (0.40) —
SCHEMBL21915014 0.66 PARP1 (0.34) —
SCHEMBL22536515 0.66 PDK1 (0.41) —
SCHEMBL22536517 0.66 PDK1 (0.41) —

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 3 patents. 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
EP-3381919-A1 SUBSTITUTED TRIAZOLOPIPERAZINE PARP INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-10-03 — — EP disclosed
US-20180265516-A1 Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-09-20 — — 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 (2 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-20180265516-A1 Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof PARP1, PARP11, PARP2 MEN1 1746/4885KMT2A 2021/4885
US-10597399-B2 Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof PARP1, PARP11, PARP2 MEN1 1841/4885KMT2A 2228/4885

“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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