SCHEMBL23828484

SCHEMBL23828484

COc1ccc(-c2nc(NC(C)=O)cc3nc(C)nn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.57
ADORA2A P29274 4/20 0.53
PIK3CG P48736 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
ADORA1 P30542 4/20 0.46
ADORA2B P29275 3/20 0.46
JAK1 P23458 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL23828381 0.92 ADORA3 (0.46) ADORA3ADORA2AADORA2BJAK1MEN1
SCHEMBL23828423 0.86 ADORA3 (0.54) ADORA3JAK1HPGD
SCHEMBL23828593 0.85 CTSL (0.43) ADORA3ADORA2AADORA2BMEN1KMT2A
SCHEMBL23828557 0.82 AOC3 (0.47) ADORA3ADORA2APIK3CGPIK3CDPIK3CA
SCHEMBL23828526 0.81 PIK3CG (0.45) ADORA3ADORA2APIK3CGADORA1
SCHEMBL23828340 0.80 POLB (0.42) ADORA3PIK3CGJAK1KDM4EALDH1A1
SCHEMBL23828334 0.79 ADORA3 (0.57) ADORA3ADORA2APIK3CGPIK3CAADORA1
SCHEMBL23828341 0.78 ADORA2A (0.49) ADORA3ADORA2APIK3CGADORA1ADORA2B
SCHEMBL23828418 0.78 FYN (0.47) ADORA3ADORA2APIK3CGADORA1ADORA2B
SCHEMBL23828576 0.76 HPGD (0.52) ADORA3ADORA1JAK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264161-B2 Heterocyclic adenosine receptor antagonists EXELIXIS, INC. (US) 2025-04-01 US claimed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US claimed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US claimed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US claimed
US-12264161-B2 Heterocyclic adenosine receptor antagonists EXELIXIS, INC. (US) 2025-04-01 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 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 (4 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-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885PIK3CG 2014/4885
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885PIK3CG 2014/4885
US-11718622-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885PIK3CG 2014/4885
US-12264161-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885PIK3CG 2014/4885

“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.