SCHEMBL1332950

SCHEMBL1332950

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2ON2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.49
ADORA1 P30542 2/20 0.45
POLB P06746 1/20 0.39
ENPP1 P22413 2/20 0.39
P2RY1 P47900 1/20 0.39
NT5E P21589 1/20 0.38
CHKA P35790 1/20 0.38

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
SCHEMBL10446717 1.00 TYMP (0.49) TYMPADORA1POLBENPP1P2RY1
SCHEMBL4820943 0.88 TYMP (0.50) TYMPADORA1POLBENPP1P2RY1
SCHEMBL7882460 0.86 TYMP (0.49) TYMPADORA1POLBENPP1P2RY1
SCHEMBL24191239 0.85 ADORA1 (0.49) TYMPADORA1POLBENPP1P2RY1
SCHEMBL29529385 0.84 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL29574745 0.84 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL1774838 0.84 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL1774839 0.84 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL7871248 0.84 TYMP (0.63) TYMPADORA1POLBENPP1P2RY1
SCHEMBL5224854 0.84 TYMP (0.47) TYMPADORA1POLBENPP1P2RY1

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-8212020-B2 Reagents for reversibly terminating primer extension BENNER STEVEN ALBERT (US) 2012-07-03 US disclosed
US-20110275124-A1 Reagents for reversibly terminating primer extension BENNER STEVEN A 2011-11-10 US disclosed
US-8034923-B1 Reagents for reversibly terminating primer extension BENNER STEVEN ALBERT 2011-10-11 US disclosed
WO-2010110775-A1 REAGENTS FOR REVERSIBLY TERMINATING PRIMER EXTENSION BENNER STEVEN ALBERT (US) 2010-09-30 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-20110275124-A1 Reagents for reversibly terminating primer extension RNGTT, POLRMT, DNTT TYMP 27/4885ADORA1 420/4885POLB 28/4885

“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.