SCHEMBL20558598

SCHEMBL20558598

COC(C)n1c(S)nc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.52
▸ ADORA1 P30542 13/20 0.52
▸ ADORA2B P29275 10/20 0.52
▸ ADORA3 P0DMS8 5/20 0.52
▸ PI4KA P42356 4/20 0.42
▸ PI4K2B Q8TCG2 4/20 0.42
▸ PI4K2A Q9BTU6 4/20 0.42
▸ PI4KB Q9UBF8 4/20 0.42
▸ HSP90B1 P14625 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.37
▸ HSP90AB1 P08238 2/20 0.37

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
SCHEMBL21539360 0.71 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22300665 0.71 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20014135 0.70 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL29280561 0.69 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18510391 0.69 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22381523 0.68 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL16707341 0.67 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL28432009 0.65 NSD3 (0.60) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL28897799 0.65 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22571151 0.65 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541060-B2 Pharmaceutical compositions for treating pain Forever Cheer Holding Limited (HK) 2023-01-03 — — US claimed
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN FOREVER CHEER INTERNATIONAL LTD (HK) 2018-11-22 — — US claimed
EP-3403674-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer International Limited (HK) 2018-11-21 — — EP claimed
US-11541060-B2 Pharmaceutical compositions for treating pain Forever Cheer Holding Limited (HK) 2023-01-03 — — US disclosed
CN-108743589-B Pharmaceutical composition for treating pain 永展国际有限公司 2021-05-14 — — CN disclosed
US-20200268766-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer Holding Limited (HK) 2020-08-27 — — US disclosed
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN FOREVER CHEER INTERNATIONAL LTD (HK) 2018-11-22 — — US disclosed
EP-3403674-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer International Limited (HK) 2018-11-21 — — EP 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 (3 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-20200268766-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN OPRM1, OPRL1, OPRD1 ADORA2A 511/4885ADORA1 84/4885ADORA2B 335/4885
US-11541060-B2 Pharmaceutical compositions for treating pain OPRM1, OPRL1, OPRD1 ADORA2A 511/4885ADORA1 84/4885ADORA2B 335/4885
US-20180333420-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN OPRM1, OPRL1, OPRD1 ADORA2A 511/4885ADORA1 84/4885ADORA2B 335/4885

“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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