SCHEMBL10129844

SCHEMBL10129844

Nc1nc(OC2CCCCC2)c2ncn(CCOCO)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
MGMT P16455 7/20 0.41
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
FGFR1 P11362 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35

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
SCHEMBL1566667 0.87 POLB (0.53) POLBTLR9TLR7FGFR1SLC22A6
SCHEMBL1567138 0.85 POLB (0.54) POLBTLR9TLR7FGFR1SLC22A6
SCHEMBL1565444 0.83 POLB (0.54) POLBFGFR1SLC22A6
SCHEMBL1565570 0.81 POLB (0.55) POLBFGFR1SLC22A6
SCHEMBL17625500 0.81 POLB (0.44) POLBTLR9TLR7MGMTCDK1
SCHEMBL13747170 0.80 POLB (0.40) POLBTLR9TLR7MGMTCDK1
SCHEMBL13746589 0.77 MGMT (0.43) POLBTLR9TLR7MGMTCDK1
SCHEMBL2607076 0.77 POLB (0.46) POLBTLR9TLR7FGFR1SLC22A6
SCHEMBL13747659 0.77 POLB (0.39) POLBTLR9TLR7MGMTCDK1
SCHEMBL10129543 0.76 CDK1 (0.46) POLBTLR9TLR7MGMTADORA2A

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-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
EP-2308885-A2 Novel compounds and methods for therapy Gilead Sciences, Inc. (US) 2011-04-13 EP disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 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-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX POLB 501/4885TLR9 1407/4885TLR7 1639/4885

“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.