SCHEMBL6885317

SCHEMBL6885317

CC(C)COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.72
ADORA2B P29275 7/20 0.72
SLC29A1 Q99808 5/20 0.68
CYP2C19 P33261 1/20 0.66
ADORA3 P0DMS8 1/20 0.65
ADORA1 P30542 1/20 0.65
PGK1 P00558 1/20 0.60
PGK2 P07205 1/20 0.60
LMNA P02545 1/20 0.60
NT5E P21589 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL2219631 0.89 ADORA2A (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
SCHEMBL2218888 0.89 ADORA2A (0.70) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL9937290 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL20769831 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL14031852 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL2143756 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL18820 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL13575801 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL1818971 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3
Nelarabine SCHEMBL18321891 0.87 CYP2C19 (0.71) ADORA2AADORA2BSLC29A1CYP2C19ADORA3

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-20040241706-A1 Highly specific modulators of GTPases for target validation IRM, LLC 2004-12-02 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-20040241706-A1 Highly specific modulators of GTPases for target validation CDC42, ARHGDIB, ARHGEF2 ADORA2A 4341/4885ADORA2B 4641/4885SLC29A1 4419/4885

“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.