SCHEMBL21283410

SCHEMBL21283410

CO[C@@H](COS(N)(=O)=O)[C@@H](O)Cn1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPC1 O15118 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ IARS1 P41252 1/20 0.45

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
SCHEMBL18631311 0.87 ADORA3 (0.41) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL23080226 0.84 CDK1 (0.54) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL23080272 0.83 CDK1 (0.53) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL23080204 0.83 P2RX7 (0.41) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL23080228 0.80 NAE1 (0.37) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL18630514 0.79 NAE1 (0.58) —
SCHEMBL20008056 0.78 NAE1 (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL23080250 0.77 NAE1 (0.38) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL23080242 0.76 CCNB2 (0.48) ADORA2AADORA1NPC1CDK1CCNB2
SCHEMBL23080289 0.76 NAE1 (0.41) TMIGD3ADORA2AADORA1HPGDPDE4A

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 TMIGD3 3430/4885ADORA2A 3026/4885ADORA1 2055/4885

“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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