SCHEMBL22797652

SCHEMBL22797652

CCOC(=O)[C@@H]1CC(O)C(O)C(n2cnc3c(N)ncnc32)O1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 3/20 0.73
▸ AHCY P23526 11/20 0.60
▸ HIF1A Q16665 1/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ TSHR P16473 3/20 0.56
▸ ADORA2B P29275 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ADORA2A P29274 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ TMIGD3 P0DMS9 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL22799589 1.00 HSP90B1 (0.73) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL8104706 0.85 HSP90B1 (1.00) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10883419 0.83 HSP90B1 (0.85) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL11202311 0.83 HSP90B1 (0.85) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL24673732 0.81 HSP90B1 (0.58) HSP90B1AHCYADORA2BADORA2AADORA3
SCHEMBL22797654 0.81 HSP90B1 (0.71) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL24673147 0.81 HSP90B1 (0.71) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL22797658 0.81 HSP90B1 (0.71) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL7898363 0.80 HSP90B1 (0.70) HSP90B1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL11407218 0.80 HSP90B1 (0.70) HSP90B1AHCYHIF1ATMEM97SIGMAR1

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
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 — — WO 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 HSP90B1 567/4885AHCY 998/4885HIF1A 4479/4885

“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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