SCHEMBL29310486

SCHEMBL29310486

CC(C)n1c(=O)n(C)c2ccc(C#N)nc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.38
DGKZ Q13574 12/20 0.35
DGKA P23743 11/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
MAPK14 Q16539 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
HPD P32754 2/20 0.34
BCL6 P41182 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL29311431 0.83 PDE3B (0.44) ADORA2BBRD4BRPF1PIK3CDPIK3CA
SCHEMBL29311430 0.77 GRM2 (0.43) ADORA2BDGKZ
SCHEMBL23510554 0.74 CDK4 (0.44)
SCHEMBL29310609 0.72 GSK3B (0.36) DGKZDGKAPIK3CDPIK3CAPIK3CG
SCHEMBL27446378 0.70 HPD (0.46) BRD4BRPF1MAPK14HPDBCL6
SCHEMBL27446315 0.70 MAPK14 (0.43) BRD4BRPF1MAPK14HPDBCL6
SCHEMBL29311703 0.70 PIK3CA (0.41) DGKZPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27253861 0.70 HSD17B10 (0.42) ADORA2BMAPK14PIK3CABCL6PGR
SCHEMBL22038880 0.69 ADORA2B (0.45) ADORA2BMAPK14BCL6
SCHEMBL27252322 0.69 GSK3B (0.37) DGKZDGKAPIK3CDPIK3CAPIK3CG

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 ADORA2B 757/4885DGKZ 2546/4885DGKA 2496/4885

“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.