Pyrimidine

Pyrimidine

SCHEMBL454436

O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.c1cncnc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Pyrimidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.34
BTN3A1 O00481 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
Pyrimidine SCHEMBL4140222 1.00 FDPS (0.34) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL988740 1.00 FDPS (0.34) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL4154828 1.00 FDPS (0.34) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL28436619 0.97 FDPS (0.33) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL27748802 0.91 FDPS (0.31) FDPSBTN3A1PDE3A
Pyrimidine SCHEMBL27549055 0.88 FDPS (0.32) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL28663 0.88 FDPS (0.32) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL27549056 0.88 FDPS (0.32) FDPSBTN3A1PDE3ATSHRNAPRT
Pyrimidine SCHEMBL1880807 0.84 FDPS (0.35) FDPSBTN3A1PDE3AALPLALPI
Foscarnet SCHEMBL15510548 0.83 FDPS (0.33) FDPSTSHRNAPRTTDP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016130562-A2 METABOLIC ANALYSIS OF THE NUCLEOTIDE DE NOVO AND SALVAGE PATHWAYS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-18 WO claimed
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US claimed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US claimed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 US claimed
WO-2002048331-A2 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-20 WO claimed
WO-2016130562-A2 METABOLIC ANALYSIS OF THE NUCLEOTIDE DE NOVO AND SALVAGE PATHWAYS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-18 WO disclosed
EP-2935664-A1 STABILIZED NANOPORE AND MICROPORE STRUCTURES AND METHODS FOR MAKING AND USING THE SAME Ibis Biosciences, Inc. (US) 2015-10-28 EP disclosed
CN-102159949-B Multi-ligand capture agents and related compositions, methods and systems CALIFORNIA INST OF TECHN 2015-03-04 CN disclosed
WO-2014100693-A1 STABILIZED NANOPORE AND MICROPORE STRUCTURES AND METHODS FOR MAKING AND USING THE SAME IBIS BIOSCIENCES, INC. (US) 2014-06-26 WO disclosed
EP-2614156-A2 CONTROL OF DNA MOVEMENT IN A NANOPORE AT ONE NUCLEOTIDE PRECISION BY A PROCESSIVE ENZYME The Regents of the University of California (US) 2013-07-17 EP disclosed
WO-2012033524-A2 CONTROL OF DNA MOVEMENT IN A NANOPORE AT ONE NUCLEOTIDE PRECISION BY A PROCESSIVE ENZYME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 WO disclosed
CN-102159949-A Multi-ligand capture agents and related compositions, methods and systems CALIFORNIA INST OF TECHN 2011-08-17 CN disclosed
US-6111074-A AMINO ACID SEQUENCE OF POLYPEPTIDE FROM THE URIDINE MONOPHOSPHATE KINASE FAMILY; FOR SCREENING BACTERICIDES AND BACTERIOSTATS; FOR DIAGNOSIS AND PROPHYLAXIS OF INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-29 US disclosed
US-5830653-A ABILITY TO INHIBIT GENE EXPRESSION GILEAD SCIENCES, INC. (US) 1998-11-03 US disclosed
US-5645985-A USED FOR DIAGNOSIS TO DETECT VIRUSES OR DISEASED CONDITIONS GILEAD SCIENCES, INC. (US) 1997-07-08 US disclosed
EP-0724647-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NeXstar Pharmaceuticals, Inc. (US) 1996-08-07 EP disclosed
EP-0637965-A4 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES. GILEAD SCIENCES INC (US) 1996-01-24 EP disclosed
WO-1995007364-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NEXSTAR PHARMACEUTICALS, INC. (US) 1995-03-16 WO disclosed
EP-0637965-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1995-02-15 EP disclosed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 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 (2 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-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars PNP, NUDT14, ENTPD5 FDPS 124/4885BTN3A1 3871/4885PDE3A 2604/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 FDPS 184/4885BTN3A1 4600/4885PDE3A 2499/4885

“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.