SCHEMBL29915250

SCHEMBL29915250

NC(=O)C1(C(=O)NCCCNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)CCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.75
▸ CDK2 P24941 1/20 0.75
▸ TBK1 Q9UHD2 16/20 0.71
▸ MARK3 P27448 3/20 0.71
▸ MARK4 Q96L34 3/20 0.71
▸ STK17A Q9UEE5 3/20 0.71
▸ NUAK1 O60285 2/20 0.61
▸ TYK2 P29597 2/20 0.61
▸ AAK1 Q2M2I8 2/20 0.61
▸ MKNK2 Q9HBH9 2/20 0.61
▸ NTRK1 P04629 2/20 0.61
▸ BMPR2 Q13873 2/20 0.61
▸ STK16 O75716 1/20 0.61
▸ CSNK2A2 P19784 1/20 0.61
▸ NUAK2 Q9H093 1/20 0.61
▸ BMP2K Q9NSY1 1/20 0.61
▸ AURKA O14965 1/20 0.61
▸ ULK1 O75385 3/20 0.59
▸ PDK1 Q15118 3/20 0.59
▸ ULK2 Q8IYT8 3/20 0.59

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
SCHEMBL3865565 1.00 PDPK1 (0.75) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL3863942 0.98 PDPK1 (0.76) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL3865033 0.91 PDPK1 (0.74) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL3868849 0.89 PDPK1 (0.74) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13898170 0.89 TBK1 (0.75) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13898218 0.89 ULK1 (0.74) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13898211 0.88 PDPK1 (0.75) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13897851 0.87 PDPK1 (0.79) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13898272 0.87 PDPK1 (0.70) PDPK1CDK2TBK1MARK3MARK4
SCHEMBL13898200 0.86 PDPK1 (0.59) PDPK1CDK2TBK1MARK3MARK4

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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 — — 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 (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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PDPK1 95/4885CDK2 256/4885TBK1 1262/4885

“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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