SCHEMBL3943323

SCHEMBL3943323

COC(=O)c1c(N)c(C#N)c(-c2ccco2)n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA1 P30542 11/20 0.44
ADORA2B P29275 3/20 0.44
ADORA3 P0DMS8 11/20 0.42
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3936282 0.95 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3DRD2
SCHEMBL3936552 0.81 ALDH1A1 (0.45) DRD2ALDH1A1KDM4E
SCHEMBL3944905 0.81 ALDH1A1 (0.38) ADORA2AADORA1ADORA2BADORA3DRD2
SCHEMBL3945249 0.79 ALDH1A1 (0.39) DRD2ALDH1A1KDM4E
SCHEMBL13843412 0.77 ADORA2A (0.40) ADORA2AADORA1ADORA2BADORA3DYRK1A
SCHEMBL3936530 0.75 ALDH1A1 (0.38) DRD2ALDH1A1KDM4EMAPT
SCHEMBL3936237 0.75 ALDH1A1 (0.35) DRD2ALDH1A1KDM4EMAPT
SCHEMBL13843283 0.71 ADORA2A (0.39) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL3933310 0.67 DRD2 (0.38) DRD2ALDH1A1KDM4E
SCHEMBL27676184 0.67 DRD2 (0.35) DRD2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP 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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP ADORA2A 2717/4885ADORA1 2784/4885ADORA2B 2848/4885

“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.