SCHEMBL29802475

SCHEMBL29802475

CC(CNc1nc(NC2CCCC2)ncc1N)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
CCNE2 O96020 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MAPK8 P45983 9/20 0.41
MAPK9 P45984 3/20 0.41
MERTK Q12866 1/20 0.39
SYK P43405 4/20 0.37

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
SCHEMBL29802703 0.91 MAPK8 (0.42) ACACBMAPK8MAPK9MERTKSYK
SCHEMBL19665603 0.86 MAPK8 (0.44) ACACBCCNA2CDK2CCNA1MAPK8
SCHEMBL29802488 0.85 PRKCQ (0.43) ACACBCCNE2CCNA2CCNE1CDK2
SCHEMBL19665681 0.80 MAPK8 (0.47) MAPK8MAPK9SYK
SCHEMBL27564409 0.77 SYK (0.45) SYK
SCHEMBL29802533 0.77 PRKCQ (0.42) ACACBCDK2MAPK8MAPK9MERTK
SCHEMBL19665632 0.76 MAPK8 (0.43) ACACBCCNA2CDK2CCNA1MAPK8
SCHEMBL29802436 0.74 STK17B (0.37) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL19665692 0.74 EPHX1 (0.50) CCNA2CDK2MERTKSYK
SCHEMBL19665710 0.73 MAPK8 (0.45) MAPK8MAPK9MERTKSYK

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 ACACB 4363/4885CCNE2 1848/4885CCNA2 885/4885

“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.