SCHEMBL934614

SCHEMBL934614

CS[C@@]1(n2cnc3c(N)ncnc32)O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
GMPS P49915 1/20 0.45
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
AHCY P23526 8/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SLC28A1 O00337 1/20 0.42
NADK O95544 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
SCHEMBL160357 0.85 ADORA3 (0.53) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL8949392 0.85 ADORA2A (0.43) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL30216733 0.84 EHMT1 (0.45) ADORA3ADORA2AGMPSAHCYTAS1R3
SCHEMBL8677295 0.83 ADORA2A (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL30139991 0.83 ADORA2A (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL4751168 0.81 ADORA2A (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL6650344 0.81 ADORA2A (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL4830361 0.81 ADORA2A (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL10604267 0.76 PI4KA (0.47) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL5268052 0.76 P2RX1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454263-B1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2018-06-13 EP disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
EP-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US disclosed
EP-2454263-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE The Albert Einstein College Of Medicine Of Yeshiva University (US) 2012-05-23 EP disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 US disclosed
WO-2011008110-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF YESHIVA UNIVERSITY (US) 2011-01-20 WO disclosed
EP-2049543-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2009-04-22 EP disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 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 (4 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP ADORA3 750/4885ADORA2A 1340/4885GMPS 70/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP ADORA3 749/4885ADORA2A 1335/4885GMPS 71/4885
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP ADORA3 160/4885ADORA2A 156/4885GMPS 59/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP ADORA3 743/4885ADORA2A 509/4885GMPS 117/4885

“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.