SCHEMBL19271869

SCHEMBL19271869

CC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1cc(I)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.65
▸ ADK P55263 14/20 0.56
▸ HASPIN Q8TF76 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL6723537 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL1573050 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13649996 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13021352 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL2786078 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL12716058 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13650003 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL15241432 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL13091999 1.00 ADORA2A (0.65) ADORA2AADKHASPINADORA3ADORA2B
SCHEMBL6723371 0.91 ADK (0.65) ADORA2AADKHASPINADORA3MTOR

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-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2017-08-24 — — 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-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES TPMT, TYMP, ENTPD5 ADORA2A 54/4885ADK 272/4885HASPIN 2195/4885

“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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