SCHEMBL29802488

SCHEMBL29802488

CC(CNc1nc(NC2CCCC2)ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.43
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
ACACB O00763 4/20 0.40
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNA1 P78396 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK8 P45983 3/20 0.36
MAPK9 P45984 2/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL29802533 0.91 PRKCQ (0.42) PRKCQGSK3AGSK3BACACBCDK2
SCHEMBL19665539 0.87 GSK3A (0.48) PRKCQGSK3AGSK3BACACBCDK2
SCHEMBL29802475 0.85 ACACB (0.42) ACACBCDK2CCNE2CCNA2CCNE1
SCHEMBL28644736 0.81 STK17B (0.46) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL29802473 0.81 STK17B (0.46) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL19665528 0.81 PRKCQ (0.46) PRKCQGSK3AGSK3BCDK2MEN1
SCHEMBL29802572 0.79 PRKCQ (0.43) PRKCQGSK3AGSK3BCDK2MEN1
SCHEMBL27582230 0.78 GSK3A (0.42) GSK3AGSK3BMEN1KMT2A
SCHEMBL19665741 0.78 GSK3A (0.47) PRKCQGSK3AGSK3BACACBCDK2
SCHEMBL29802703 0.76 MAPK8 (0.42) ACACBMAPK8MAPK9MERTK

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 PRKCQ 2957/4885GSK3A 2053/4885GSK3B 2206/4885

“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.