SCHEMBL10276375

SCHEMBL10276375

N#Cc1ccc(-n2ncc3c(N)nc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
TYR P14679 1/20 0.41
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL10276566 0.83 ADORA2A (0.45) TYR
SCHEMBL10275472 0.82 CSNK2A2 (0.49) TYRSLC5A1SLC5A2
SCHEMBL14120190 0.77 TYR (0.64) TYRSLC5A1SLC5A2
SCHEMBL10313634 0.76 ADORA2A (0.40) TYR
SCHEMBL23457365 0.76 TYR (0.69) TYRSLC5A1SLC5A2
SCHEMBL14210426 0.76 TYR (0.69) TYRSLC5A1SLC5A2
SCHEMBL10275791 0.73 GSK3B (0.38) XDHTYRSLC5A1SLC5A2
SCHEMBL7037817 0.71 TYR (0.59) TYR
SCHEMBL7039032 0.71 TYR (0.59) TYR
SCHEMBL7037820 0.71 TYR (0.59) TYR

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 XDH 8/4885TYR 1738/4885SLC5A1 29/4885

“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.