SCHEMBL10313634

SCHEMBL10313634

N#Cc1ccc(-n2cnc3c(NN)nc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TYR P14679 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 0.91 ADORA2A (0.45) ADORA2AADORA1TYR
SCHEMBL10275994 0.81 MEN1 (0.40) TYR
SCHEMBL10313628 0.79 TYR (0.41) ADORA2ATYR
SCHEMBL10276375 0.76 XDH (0.43) TYR
SCHEMBL14120190 0.74 TYR (0.64) TYR
SCHEMBL23457365 0.73 TYR (0.69) TYR
SCHEMBL14210426 0.73 TYR (0.69) TYR
SCHEMBL7039032 0.69 TYR (0.59) TYR
SCHEMBL7037817 0.69 TYR (0.59) TYR
SCHEMBL7037820 0.69 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 2 patents. 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 disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ADORA2A 15/4885ADORA1 11/4885TYR 1738/4885

“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.