SCHEMBL21683218

SCHEMBL21683218

CN1C(=O)C(Cc2ccccn2)N(C2CCCC2)c2nc(Nc3ncc(C(=O)O)s3)ncc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 16/20 0.50
▸ PLK3 Q9H4B4 16/20 0.50
▸ PLK2 Q9NYY3 15/20 0.50
▸ BRD4 O60885 3/20 0.47
▸ TAF1 P21675 1/20 0.47
▸ PIP4K2A P48426 1/20 0.47
▸ PIP4K2B P78356 1/20 0.47
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46
▸ NEK4 P51957 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ CAMK2G Q13555 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46
▸ SRPK1 Q96SB4 1/20 0.46
▸ PRKD2 Q9BZL6 1/20 0.46
▸ CSNK1G1 Q9HCP0 1/20 0.46
▸ CSNK1G3 Q9Y6M4 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
SCHEMBL21683215 1.00 PLK1 (0.50) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23849050 0.88 PLK1 (0.51) PLK1PLK3PLK2BRD4TAF1
SCHEMBL21683262 0.86 PIP4K2A (0.63) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828188 0.86 PIP4K2A (0.63) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828192 0.80 PIP4K2A (0.74) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828191 0.80 PIP4K2A (0.74) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828190 0.75 MAPK7 (0.55) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828193 0.75 MAPK7 (0.55) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13551775 0.74 PLK1 (0.82) PLK1PLK3PLK2BRD4TAF1
SCHEMBL23828189 0.72 PIP4K2A (0.70) PLK1PLK3PLK2BRD4TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773096-B2 Small-molecule PI5P4K alpha/beta inhibitors and methods of treatment using same YALE UNIVERSITY (US) 2023-10-03 — — US claimed
US-11773096-B2 Small-molecule PI5P4K alpha/beta inhibitors and methods of treatment using same YALE UNIVERSITY (US) 2023-10-03 — — US disclosed
US-20210292326-A1 Small-Molecule PI5P4K alpha/beta Inhibitors and Methods of Treatment Using Same UNIV YALE (US) 2021-09-23 — — US disclosed
EP-3833353-A1 SMALL-MOLECULE PI5P4K ALPHA/BETA INHIBITORS AND METHODS OF TREATMENT USING SAME Yale University (US) 2021-06-16 — — EP disclosed
WO-2020033823-A1 SMALL-MOLECULE PI5P4K ALPHA/BETA INHIBITORS AND METHODS OF TREATMENT USING SAME YALE UNIVERSITY (US) 2020-02-13 — — WO 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-11773096-B2 Small-molecule PI5P4K alpha/beta inhibitors and methods of treatment using same PI4KB, TP53, PI4K2B PLK1 140/4885PLK3 82/4885PLK2 25/4885
US-20210292326-A1 Small-Molecule PI5P4K alpha/beta Inhibitors and Methods of Treatment Using Same PI4KB, TP53, PI4K2B PLK1 140/4885PLK3 82/4885PLK2 25/4885

“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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