SCHEMBL29802454

SCHEMBL29802454

CC(C)(C)Nc1ncc([N+](=O)[O-])c(NCC(C)(C)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.42
PRKCQ Q04759 10/20 0.41
PTK2B Q14289 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
GSK3B P49841 4/20 0.37
GSK3A P49840 3/20 0.37
AURKA O14965 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STK17A Q9UEE5 1/20 0.36
SIRT5 Q9NXA8 2/20 0.36
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 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
SCHEMBL19665763 0.86 PRKCQ (0.46) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL29802575 0.84 STK17A (0.49) LATS1MAPTL3MBTL1STK17A
SCHEMBL19665633 0.84 STK17A (0.53) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL29290148 0.83 LATS1 (0.44) LATS1STK17AMAPK8MAPK9MAPKAPK2
SCHEMBL19665748 0.83 PRKCQ (0.43) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL29802501 0.82 PRKCQ (0.38) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL19665691 0.76 PRKCQ (0.52) PRKCQCYP3A4CYP2C9
SCHEMBL19665714 0.75 SIRT5 (0.53) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL28657267 0.74 L3MBTL1 (0.47) PRKCQPTK2BMEN1CYP1A2CYP3A4
SCHEMBL19665577 0.74 PRKCQ (0.49) PRKCQCYP3A4CYP2C9JAK2JAK3

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 LATS1 2251/4885PRKCQ 2957/4885PTK2B 3403/4885

“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.