SCHEMBL23849199

SCHEMBL23849199

O=C1Nc2cnc(Cl)nc2N(C2CCCC2)[C@@H]1CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.41
▸ PIP4K2B P78356 1/20 0.41
▸ PLK1 P53350 2/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ PLK2 Q9NYY3 1/20 0.40
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MMP1 P03956 6/20 0.32
▸ MMP9 P14780 5/20 0.32
▸ MMP3 P08254 3/20 0.32
▸ MMP7 P09237 2/20 0.32
▸ ABL1 P00519 1/20 0.30
▸ BCR P11274 1/20 0.30

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
SCHEMBL92593 0.87 PLK1 (0.51) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL10319396 0.87 PLK1 (0.51) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL14952207 0.87 PLK1 (0.43) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL30523195 0.87 PLK1 (0.51) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL382821 0.87 PLK1 (0.51) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL31098106 0.86 PLK1 (0.44) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL1288242 0.85 PLK1 (0.49) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL1288243 0.85 PLK1 (0.49) PIP4K2APIP4K2BPLK1PLK3PLK2
SCHEMBL5936768 0.82 PLK1 (0.46) PLK1PLK3PLK2BRD4KDM4E
SCHEMBL10453154 0.81 KDM4E (0.38) PLK1PLK3PLK2BRD4KDM4E

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 2 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 disclosed
US-20210292326-A1 Small-Molecule PI5P4K alpha/beta Inhibitors and Methods of Treatment Using Same UNIV YALE (US) 2021-09-23 — — 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-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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