SCHEMBL29802473

SCHEMBL29802473

CC(CNc1nc(Cl)ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
PIN1 Q13526 6/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 2/20 0.38
TRPA1 O75762 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28644736 1.00 STK17B (0.46) STK17BSTK17APIN1MEN1POLB
SCHEMBL29802583 0.90 STK17A (0.49) STK17BSTK17APIN1SYKTRPA1
SCHEMBL19665694 0.85 PIN1 (0.49) STK17APIN1MEN1POLBKMT2A
SCHEMBL29802575 0.83 STK17A (0.49) STK17BSTK17APIN1MAPTAAK1
SCHEMBL12968578 0.82 STK17A (0.62) STK17BSTK17APIN1MEN1KMT2A
SCHEMBL29802488 0.81 PRKCQ (0.43) MEN1KMT2ACCNE2CCNA2CCNE1
SCHEMBL29802555 0.80 STK17A (0.72) STK17BSTK17APIN1MEN1KMT2A
SCHEMBL29279748 0.78 PIN1 (0.46) STK17APIN1MEN1POLBKMT2A
SCHEMBL5095919 0.77 PRKCQ (0.49) STK17BSTK17ACDK2
SCHEMBL5095916 0.77 PRKCQ (0.49) STK17BSTK17ACDK2

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 3295/4885PIN1 3360/4885

“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.