SCHEMBL453204

SCHEMBL453204

CC(C)C(=O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
PNP P00491 1/20 0.41
CDK2 P24941 7/20 0.40
CDK1 P06493 6/20 0.40
CCNB1 P14635 6/20 0.40
CCNA2 P20248 6/20 0.40
CCNA1 P78396 6/20 0.40
MGMT P16455 2/20 0.39
DPP4 P27487 1/20 0.39
GDA Q9Y2T3 2/20 0.38
PDPK1 O15530 1/20 0.37
ADORA2B P29275 2/20 0.37
MAP3K5 Q99683 1/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL218669 0.84 MGMT (0.45) CYP1A2PNPCDK2CDK1CCNB1
Bromide SCHEMBL8165615 0.83 MGMT (0.44) CYP1A2PNPCDK2CDK1CCNB1
SCHEMBL6821773 0.82 PNP (0.45) CYP1A2PNPCDK2MGMTDPP4
Benzene SCHEMBL8024450 0.82 MGMT (0.43) CYP1A2PNPCDK2CDK1CCNB1
SCHEMBL28559768 0.80 MGMT (0.41) CYP1A2PNPCDK2CDK1CCNB1
SCHEMBL28274965 0.79 PDE4A (0.37) CYP1A2PNPCDK2CDK1CCNB1
SCHEMBL8843878 0.78 PDE4A (0.43) PNPCDK2CDK1CCNB1CCNA2
SCHEMBL453202 0.78 GDA (0.32) GDAADORA2BADORA2A
SCHEMBL28627686 0.78 PNP (0.41) CYP1A2PNPCDK2CDK1CCNB1
SCHEMBL6268093 0.77 ADORA2A (0.42) CYP1A2PNPCDK2CDK1CCNB1

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 373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987599-B2 Solid support for synthesizing nucleic acid sequences and methods for making and using UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-05-21 US claimed
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-31 US claimed
WO-2022005988-A2 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 WO claimed
EP-3004131-B1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2020-07-22 EP claimed
CN-106117289-B 2 '-O-MOE-3 '-H- thiophosphate nucleoside monomers and its synthetic method 郑州大学 2019-02-12 CN claimed
CN-106117289-A 2 ' O MOE 3 ' H thiophosphate nucleoside monomers and synthetic methods thereof 郑州大学 2016-11-16 CN claimed
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP claimed
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2016-03-24 US claimed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO claimed
CN-101410406-B 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2012-06-20 CN claimed
WO-1998039334-A1 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-09-11 WO claimed
US-5780607-A PYRANOSYL NUCLEOSIDE MONOMER UNITS CONNECTED BY AMIDE LINKAGES HOFFMANN-LA ROCHE INC. (US) 1998-07-14 US claimed
US-5750676-A Process for preparing nucleosides with unprotected sugars HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO claimed
WO-1995029930-A2 IMPROVED METHOD FOR OLIGONUCLEOTIDE ANALOG SYNTHESIS GILEAD SCIENCES, INC. (US) 1995-11-09 WO claimed
EP-0570514-A4 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES INC (US) 1994-08-17 EP claimed
EP-0570514-A1 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES, INC. (US) 1993-11-24 EP claimed
WO-1992013869-A1 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES, INC. (US) 1992-08-20 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
EP-0121112-B1 2'-DEOXY-3-PHOSPHONYLMETHYL NUCLEOSIDES AND METHOD FOR THEIR PREPARATION Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1987-05-13 EP 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 (3 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-11987599-B2 Solid support for synthesizing nucleic acid sequences and methods for making and using RNGTT, NSUN2, POLN CYP1A2 4865/4885PNP 96/4885CDK2 716/4885
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING RNGTT, NSUN2, POLN CYP1A2 4865/4885PNP 96/4885CDK2 716/4885
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES DERA, TYMP, PAICS CYP1A2 4872/4885PNP 43/4885CDK2 578/4885

“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.