SCHEMBL2292011

SCHEMBL2292011

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(N)nc(Nc3ccccc3)nc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.71
CYP1A2 P05177 2/20 0.71
ADORA2B P29275 2/20 0.71
THPO P40225 1/20 0.71
MEN1 O00255 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KMT2A Q03164 1/20 0.71
BLM P54132 1/20 0.71
PI4KA P42356 1/20 0.63
PI4K2B Q8TCG2 1/20 0.63
PI4K2A Q9BTU6 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
ADORA3 P0DMS8 1/20 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
SCHEMBL9022230 0.91 CYP1A2 (0.67) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL2292121 0.87 RXFP1 (0.57) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL7206725 0.86 PI4KA (0.59) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL10399490 0.85 PI4KA (0.57) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL2294904 0.84 PI4KA (0.66) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL11518212 0.84 PI4KA (0.65) ADORA2ACYP1A2ADORA2BTHPOPI4KA
SCHEMBL29387702 0.83 CYP1A2 (1.00) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL725689 0.83 CYP1A2 (1.00) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL29753859 0.83 CYP1A2 (1.00) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL725690 0.83 CYP1A2 (1.00) ADORA2ACYP1A2ADORA2BTHPOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ADORA2A 2428/4885CYP1A2 1137/4885ADORA2B 955/4885

“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.