SCHEMBL21604597

SCHEMBL21604597

CC(=O)c1ccc2cn(C)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.37
ADORA1 P30542 6/20 0.37
ADORA3 P0DMS8 9/20 0.36
ADORA2B P29275 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NSD2 O96028 1/20 0.36
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL15833604 0.71 MAPT (0.41) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL15819411 0.69 ADORA2A (0.46) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL30876453 0.69 CCR1 (0.45) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL19928112 0.68 MAPT (0.39) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL25786732 0.67 MAPT (0.38) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL19421522 0.67 MAPT (0.38) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL31600322 0.67 CYP1A2 (0.40) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL21604623 0.67 MAPT (0.54) MAPTALDH1A1KDM4ENSD2
SCHEMBL21604520 0.66 MAPT (0.41) ADORA2AADORA1MAPTALDH1A1KDM4E
SCHEMBL25690528 0.66 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ADORA2A 3776/4885ADORA1 3753/4885ADORA3 3948/4885

“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.