SCHEMBL23080226

SCHEMBL23080226

CO[C@@H]([C@@H](O)n1cnc2c(NCc3ccccc3)ncnc21)[C@@H](COS(N)(=O)=O)OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.54
▸ CCNB2 O95067 6/20 0.54
▸ CCNB1 P14635 6/20 0.54
▸ CCNB3 Q8WWL7 6/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ ADORA3 P0DMS8 6/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL23080272 0.87 CDK1 (0.53) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL23080242 0.84 CCNB2 (0.48) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL21283410 0.84 TMIGD3 (0.52) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20008058 0.82 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL27430176 0.79 CDK1 (0.63) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22214990 0.77 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20008037 0.77 ATG7 (0.40) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20007970 0.75 DNPH1 (0.38) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL21450235 0.75 NT5E (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20008098 0.73 CDK1 (0.41) CDK1CCNB2CCNB1CCNB3ADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CDK1 4/4885CCNB2 485/4885CCNB1 189/4885

“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.

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