SCHEMBL19829271

SCHEMBL19829271

CC(C)(C)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.66
IGF1R P08069 2/20 0.49
MAPK1 P28482 5/20 0.46
MAPK14 Q16539 2/20 0.41
MAPK3 P27361 1/20 0.41
AKT1 P31749 1/20 0.40
EGFR P00533 2/20 0.39
RAF1 P04049 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
GSK3B P49841 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE3A Q14432 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL8810012 0.85 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8639797 0.84 ADORA1 (0.72) ADORA1IGF1RMAPK1EGFRHTT
SCHEMBL7304113 0.84 ADORA1 (0.68) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7301059 0.83 ADORA1 (0.67) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7299166 0.83 ADORA1 (0.77) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7295203 0.83 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
Hydrochloric Acid SCHEMBL7301696 0.81 ADORA1 (0.68) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8808692 0.81 ADORA1 (0.80) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8807266 0.81 ADORA1 (0.88) ADORA1IGF1RMAPK1AKT1HTT
SCHEMBL8809138 0.81 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030453-A1 METHOD FOR IMPROVING LEARNING ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2018-02-01 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 (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-20180030453-A1 METHOD FOR IMPROVING LEARNING NT5E, ADORA1, ENTPD5 ADORA1 2/4885IGF1R 763/4885MAPK1 3104/4885

“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.