SCHEMBL21283407

SCHEMBL21283407

CC[C@@H](COS(N)(=O)=O)[C@@H](O)Cn1cc(F)c2c(NCc3ccccc3)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PDE11A Q9HCR9 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TMIGD3 P0DMS9 2/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADK P55263 2/20 0.37
▸ SRC P12931 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ ADORA2B P29275 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
SCHEMBL21283358 0.79 NAE1 (0.42) CA2NAE1UBA3
SCHEMBL21283371 0.78 POLB (0.39) CA2POLBSRCAURKARPS6KB1
SCHEMBL18872368 0.73 EGFR (0.40) TP53AURKARPS6KB1EGFR
SCHEMBL21283387 0.73 KDM4E (0.45) POLBADORA2AADORA1TP53AURKA
SCHEMBL18872635 0.73 AURKA (0.42) SRCAURKARPS6KB1CDK1CCNB2
SCHEMBL21283410 0.72 TMIGD3 (0.52) TMIGD3ADORA2AADORA1TP53CDK1
SCHEMBL21283368 0.72 LMNA (0.41) POLBTP53RPS6KB1RAB9AEGFR
SCHEMBL12986946 0.70 NAE1 (0.59) CA2NAE1UBA3
SCHEMBL21283406 0.70 ATG7 (0.35) ADORA2AADORA1RPS6KB1
SCHEMBL21283373 0.69 ACACB (0.36) CA2AURKARPS6KB1CDK2NAE1

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-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — 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-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 CA12 4436/4885CA1 2434/4885CA2 3826/4885

“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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