SCHEMBL24673147

SCHEMBL24673147

CCOC(=O)C1COC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 3/20 0.71
▸ AHCY P23526 11/20 0.60
▸ TSHR P16473 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ ADORA2B P29275 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ EHMT1 Q9H9B1 1/20 0.54
▸ HIF1A Q16665 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL22797654 1.00 HSP90B1 (0.71) HSP90B1AHCYTSHRMAPK1ADORA2A
SCHEMBL22797658 1.00 HSP90B1 (0.71) HSP90B1AHCYTSHRMAPK1ADORA2A
SCHEMBL24674066 0.84 HSP90B1 (0.58) HSP90B1AHCYADORA2AADORA2BHSP90AA1
SCHEMBL8104706 0.83 HSP90B1 (1.00) HSP90B1AHCYTSHRMAPK1ADORA2A
SCHEMBL22797652 0.81 HSP90B1 (0.73) HSP90B1AHCYTSHRMAPK1ADORA2A
SCHEMBL22799589 0.81 HSP90B1 (0.73) HSP90B1AHCYTSHRMAPK1ADORA2A
SCHEMBL23982071 0.80 ADORA3 (0.64) HSP90B1AHCYMAPK1ADORA2AADORA2B
SCHEMBL2983119 0.80 ADORA3 (0.64) HSP90B1AHCYMAPK1ADORA2AADORA2B
SCHEMBL22799279 0.80 ADORA3 (0.64) HSP90B1AHCYMAPK1ADORA2AADORA2B
SCHEMBL22797512 0.80 ADORA3 (0.64) HSP90B1AHCYMAPK1ADORA2AADORA2B

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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 HSP90B1 567/4885AHCY 998/4885TSHR 3334/4885

“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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