SCHEMBL21683182

SCHEMBL21683182

CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 1.00
▸ PIP4K2B P78356 1/20 1.00
▸ PLK1 P53350 16/20 0.55
▸ PLK3 Q9H4B4 13/20 0.55
▸ PLK2 Q9NYY3 12/20 0.55
▸ RPS6KA6 Q9UK32 1/20 0.52
▸ BRD4 O60885 3/20 0.52
▸ TAF1 P21675 1/20 0.52
▸ MAPK7 Q13164 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ STK4 Q13043 1/20 0.49
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ NEK4 P51957 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ CAMK2G Q13555 1/20 0.48
▸ CAMK2D Q13557 1/20 0.48

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
SCHEMBL21683184 1.00 PIP4K2A (1.00) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828200 0.99 PIP4K2A (0.98) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828198 0.99 PIP4K2A (0.98) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL21683193 0.89 PIP4K2A (0.80) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828195 0.89 PIP4K2A (0.80) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL21683191 0.89 PIP4K2A (0.80) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828197 0.89 PIP4K2A (0.80) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828192 0.85 PIP4K2A (0.74) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828191 0.85 PIP4K2A (0.74) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL23828186 0.85 PIP4K2A (0.73) PIP4K2APIP4K2BPLK1PLK3PLK2

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 8 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-11773096-B2 Small-molecule PI5P4K alpha/beta inhibitors and methods of treatment using same YALE UNIVERSITY (US) 2023-10-03 — — US disclosed
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
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 PIP4K2A 10/4885PIP4K2B 9/4885PLK1 140/4885
US-20210292326-A1 Small-Molecule PI5P4K alpha/beta Inhibitors and Methods of Treatment Using Same PI4KB, TP53, PI4K2B PIP4K2A 10/4885PIP4K2B 9/4885PLK1 140/4885

“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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