SCHEMBL12150780

SCHEMBL12150780

CC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 1.00
ADORA3 P0DMS8 9/20 0.65
ADORA1 P30542 4/20 0.65
ADORA2B P29275 3/20 0.65
ADA P00813 1/20 0.62
PI4KA P42356 2/20 0.61
PI4K2B Q8TCG2 2/20 0.61
PI4K2A Q9BTU6 2/20 0.61
PI4KB Q9UBF8 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DOT1L Q8TEK3 1/20 0.61

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
SCHEMBL12154700 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL19402567 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL18561529 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14842184 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL24837583 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL12300485 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL24838594 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL21006596 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL21081913 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL13559230 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BADA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2023-03-02 US disclosed
US-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto EMORY UNIVERSITY (US) 2021-12-07 US disclosed
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2019-05-16 US disclosed
WO-2017189978-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-11-02 WO disclosed
US-9365604-B2 Oligomer-nucleoside phosphate conjugates NEKTAR THERAPEUTICS (US) 2016-06-14 US disclosed
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides ZHONG MINGHONG (US) 2015-09-24 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741858-B2 Oligomer-nucleoside phosphate conjugates NEKTAR THERAPEUTICS 2014-06-03 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8658616-B2 Nucleoside aryl phosphoramidates and their use as anti-viral agents for the treatment of hepatitis C virus UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2014-02-25 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2011-05-26 US disclosed
US-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates NEKTAR THERAPEUTICS (US) 2010-11-11 US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 US 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 (9 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-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto PNP, NTPCR, TYMP ADORA2A 76/4885ADORA3 69/4885ADORA1 73/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA2A 1057/4885ADORA3 936/4885ADORA1 1306/4885
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS PNP, NSUN2, MTAP ADORA2A 292/4885ADORA3 113/4885ADORA1 152/4885
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADORA3 236/4885ADORA1 297/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADORA3 236/4885ADORA1 297/4885
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR ADORA2A 83/4885ADORA3 80/4885ADORA1 108/4885
US-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides TYMP, ENPP3, PNP ADORA2A 55/4885ADORA3 18/4885ADORA1 215/4885
US-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates ENTPD5, SLC29A2, SLC29A1 ADORA2A 93/4885ADORA3 62/4885ADORA1 115/4885
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, NTPCR, PNP ADORA2A 93/4885ADORA3 82/4885ADORA1 126/4885

“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.