SCHEMBL35050

SCHEMBL35050

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)C(F)(F)F)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.68
ADORA3 P0DMS8 1/20 0.68
ADORA2A P29274 1/20 0.68
ADORA2B P29275 1/20 0.68
P2RY1 P47900 3/20 0.66
TAS1R3 Q7RTX0 2/20 0.66
TAS1R1 Q7RTX1 2/20 0.66
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
TRPM2 O94759 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
SRC P12931 1/20 0.66
P2RY2 P41231 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
PRKAA1 Q13131 1/20 0.66

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
SCHEMBL30208039 0.89 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL2294876 0.89 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL14201601 0.89 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL2294870 0.89 CA1 (0.73) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL1066377 0.88 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL29754360 0.88 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL8954219 0.88 TAS1R3 (0.75) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL11459665 0.87 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL7067739 0.85 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16554813 0.85 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309833-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING CELLSIGHT TECHNOLOGIES INC. (US) 2023-10-05 US disclosed
EP-4188453-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING Cellsight Technologies Inc. (US) 2023-06-07 EP disclosed
WO-2022026533-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING CELLSIGHT TECHNOLOGIES INC. (US) 2022-02-03 WO disclosed
US-20210187133-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-06-24 US disclosed
US-20150118157-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-30 US disclosed
US-9011817-B2 Compounds and methods of making compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-21 US disclosed
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-10 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 (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-20150118157-A1 Compounds and Methods of Making Compounds MCL1, TOP2B, TOP1 ADORA1 1307/4885ADORA3 1555/4885ADORA2A 743/4885
US-20210187133-A1 Compounds and Methods of Making Compounds MCL1, TOP1, TOP2B ADORA1 1493/4885ADORA3 1731/4885ADORA2A 994/4885
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS MCL1, TOP2B, TOP1 ADORA1 1307/4885ADORA3 1555/4885ADORA2A 743/4885

“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.