Sugi Predict

Sugi Predict / Compounds / SCHEMBL5063579

SCHEMBL5063579

SCHEMBL5063579

Nc1ncnc2c1ncn2[C@]1(OC2CCCC2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.51
▸ ADORA3 P0DMS8 4/20 0.51
▸ SLC28A1 O00337 2/20 0.48
▸ GMPS P49915 1/20 0.46
▸ ADORA2B P29275 4/20 0.46
▸ PI4KA P42356 2/20 0.46
▸ PI4K2B Q8TCG2 2/20 0.46
▸ PI4K2A Q9BTU6 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ GAPDH P04406 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DOT1L Q8TEK3 1/20 0.46

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
SCHEMBL3447136 0.84 ADORA3 (0.50) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL2297051 0.84 ADORA2A (0.47) ADORA2AADORA3SLC28A1ADORA2BPI4KA
SCHEMBL28351254 0.82 ADORA3 (0.51) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL3446750 0.82 PI4KA (0.48) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL8113728 0.82 ADORA3 (0.43) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL8612419 0.82 ADORA3 (0.47) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL8101531 0.81 ADORA3 (0.43) ADORA2AADORA3SLC28A1ADORA2BPI4KA
SCHEMBL30741572 0.81 ADORA1 (0.53) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL120550 0.81 ADORA3 (0.51) ADORA2AADORA3SLC28A1GMPSADORA2B
SCHEMBL8704526 0.80 AHCY (0.47) ADORA2AADORA3SLC28A1ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213900-A1 Engineered Protein Kinases Which Can Utilize Modified Nucleotide Triphosphate Substrates SHOKAT KEVAN 2008-09-04 — — US disclosed
US-20060263800-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2006-11-23 — — US disclosed
US-7049116-B2 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY (US) 2006-05-23 — — US disclosed
US-7026461-B1 Radiolabeled nucleotide triphosphate compound where at least on phosphorus atom is radioactive that serves as a substrate for a mutant form of a wild-type kinase but not the wild-type form; kits; use of subtrate in assays to determine if test compounds can modulate said mutant enzyme PRINCETON UNIVERSITY (US) 2006-04-11 — — US disclosed
EP-1607481-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY (US) 2005-12-21 — — EP disclosed
EP-1017823-B1 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES UNIV PRINCETON (US) 2004-07-14 — — EP disclosed
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 — — EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 — — EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 — — US disclosed
US-6521417-B1 Incubating permeabilized cells expressing mutant kinase with radiolabeled analog; cytolysis, separation by sodium dodecyl sulfate polyacrylamide gel electrophoresis PRINCETON UNIVERSITY 2003-02-18 — — US disclosed
US-20020146797-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY. 2002-10-10 — — US disclosed
US-6390821-B1 PHOSPHORYLATION PRINCETON UNIVERSITY 2002-05-21 — — US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 — — US disclosed
US-20020016976-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2002-02-07 — — US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 — — EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 — — WO disclosed
EP-1017823-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 2000-07-12 — — EP disclosed
WO-1998035048-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 1998-08-13 — — 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC ADORA2A 4770/4885ADORA3 4644/4885SLC28A1 3019/4885

“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.