SCHEMBL112112

SCHEMBL112112

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(N)(=O)Oc2cccc(COC(=O)CNCC(=O)OCc3ccccc3)c2)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ENPP1 P22413 3/20 0.51
P2RY1 P47900 3/20 0.51
AHCY P23526 1/20 0.45
DOT1L Q8TEK3 3/20 0.44
NADK O95544 1/20 0.43
P2RY12 Q9H244 2/20 0.42
P2RY2 P41231 2/20 0.42
DTYMK P23919 2/20 0.41
NT5E P21589 1/20 0.41
DNPH1 O43598 1/20 0.41
PRKAB2 O43741 1/20 0.41
TRPM2 O94759 1/20 0.41
LDHA P00338 1/20 0.41
ADRB2 P07550 1/20 0.41
FBP1 P09467 1/20 0.41
SRC P12931 1/20 0.41
ADORA1 P30542 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL111051 0.88 DOT1L (0.56) ENPP1P2RY1AHCYDOT1LNADK
SCHEMBL109307 0.87 POLB (0.54) POLBP2RY2NT5ETAS1R3TAS1R1
SCHEMBL111875 0.83 POLB (0.51) POLBP2RY2NT5E
SCHEMBL111346 0.81 DUT (0.55) P2RY2
SCHEMBL22348794 0.80 POLB (0.54) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL21162566 0.80 POLB (0.54) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL22348799 0.80 POLB (0.54) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL111384 0.79 TYMS (0.51) POLB
SCHEMBL112954 0.78 POLB (0.63) POLBENPP1P2RY1P2RY2DTYMK
SCHEMBL15807676 0.78 POLB (0.64) POLBENPP1P2RY1NADKP2RY2

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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 US disclosed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP POLB 6/4885ENPP1 46/4885P2RY1 519/4885

“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.