Sugi Predict

Sugi Predict / Compounds / SCHEMBL13268732

SCHEMBL13268732

SCHEMBL13268732

Cc1ccc(COC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ ADORA2A P29274 2/20 0.61
▸ ADORA2B P29275 2/20 0.61
▸ DPP4 P27487 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ SLC28A1 O00337 1/20 0.61
▸ MAP3K7 O43318 1/20 0.61
▸ SLC28A2 O43868 1/20 0.61
▸ GAPDH P04406 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ STAT6 P42226 1/20 0.61
▸ PI4KA P42356 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ PI4K2B Q8TCG2 1/20 0.61
▸ DOT1L Q8TEK3 1/20 0.61
▸ SLC29A1 Q99808 1/20 0.61
▸ PI4K2A Q9BTU6 1/20 0.61
▸ SLC28A3 Q9HAS3 1/20 0.61

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
SCHEMBL16670676 0.90 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL16670598 0.89 ADORA1 (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269088 0.86 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269106 0.85 ADORA1 (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13268685 0.84 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3698839 0.84 ADORA3 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL873362 0.84 ADORA3 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8328542 0.84 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL622588 0.83 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL932846 0.83 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 — — US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 — — US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — 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 (2 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SMN1; SMN2 330/4885ADORA3 2/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SMN1; SMN2 330/4885ADORA3 2/4885

“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.