SCHEMBL29802472

SCHEMBL29802472

CC(C)(C)Nc1ncc(N)c(NCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.56
STK17A Q9UEE5 1/20 0.56
BRD4 O60885 12/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2B P29275 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MERTK Q12866 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19665726 1.00 STK17B (0.56) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL19665693 0.86 SIRT5 (0.41) STK17BSTK17A
SCHEMBL19665633 0.83 STK17A (0.53) STK17BSTK17ABRD4MEN1GAA
SCHEMBL29290148 0.82 LATS1 (0.44) STK17BSTK17AMERTK
SCHEMBL29802436 0.82 STK17B (0.37) STK17BSTK17ACA1CA2CA9
SCHEMBL12371624 0.80 STK17B (0.54) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL28652855 0.80 JAK3 (0.38) STK17BSTK17A
SCHEMBL29290149 0.78 STK17A (0.44) STK17BSTK17A
SCHEMBL12968444 0.77 STK17B (0.55) STK17BSTK17ABRD4MEN1GAA
SCHEMBL29290162 0.76 JAK1 (0.35) STK17BSTK17AMERTK

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
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 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-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP STK17B 3629/4885STK17A 3295/4885BRD4 4659/4885

“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.