SCHEMBL6883248

SCHEMBL6883248

CCc1ccccc1-n1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)C(O)C2O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.54
▸ ADORA2B P29275 4/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ THPO P40225 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SLC29A1 Q99808 2/20 0.53

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
SCHEMBL6883241 1.00 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL28557481 0.82 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL1138979 0.81 ADORA2A (0.60) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL18844803 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL14929125 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL18512921 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL343478 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL14931005 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL62505 0.81 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL25101160 0.80 CYP2C19 (0.61) ADORA2AADORA2BADORA3ADORA1CYP2C19

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 4641/4885ADORA3 4635/4885

“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.

Send feedback