SCHEMBL10001407

SCHEMBL10001407

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.80
ADORA2B P29275 5/20 0.80
HSP90B1 P14625 4/20 0.80
ADORA2A P29274 3/20 0.80
HIF1A Q16665 1/20 0.80
TMEM97 Q5BJF2 1/20 0.80
SIGMAR1 Q99720 1/20 0.80
ADORA3 P0DMS8 6/20 0.78
TSHR P16473 4/20 0.77
KMT2A Q03164 2/20 0.77
HSP90AA1 P07900 2/20 0.77
ADORA1 P30542 2/20 0.77
LMNA P02545 1/20 0.77
THRB P10828 1/20 0.77
BLM P54132 1/20 0.77
MAPK1 P28482 2/20 0.72
CYP2C19 P33261 1/20 0.72
TMIGD3 P0DMS9 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
MEN1 O00255 1/20 0.72

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
5'-Carboxy Adenosine SCHEMBL2117257 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL22354804 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
5'-Carboxy Adenosine SCHEMBL3815016 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
5'-Carboxy Adenosine SCHEMBL8981282 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
5'-Carboxy Adenosine SCHEMBL29376409 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
5'-Carboxy Adenosine SCHEMBL2117314 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL13889874 0.89 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL10001413 0.87 ADORA3 (1.00) AHCYADORA2BHSP90B1ADORA2ATMEM97
SCHEMBL20579582 0.87 AHCY (1.00) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL12119006 0.87 ADORA3 (1.00) AHCYADORA2BHSP90B1ADORA2ATMEM97

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-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK AHCY 1747/4885ADORA2B 713/4885HSP90B1 2223/4885

“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.