SCHEMBL29311703

SCHEMBL29311703

Cc1ccc(-n2c(=O)n(C)c3ccc(C#N)nc32)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.41
MTOR P42345 4/20 0.41
GSK3B P49841 1/20 0.38
DGKZ Q13574 1/20 0.37
PIK3CD O00329 3/20 0.36
PIK3CG P48736 3/20 0.36
PRKDC P78527 3/20 0.35
MAT2A P31153 1/20 0.35
ELANE P08246 1/20 0.34
PDE4B Q07343 2/20 0.34
USP14 P54578 2/20 0.34
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 3/20 0.33
ADORA2A P29274 1/20 0.32
BCL6 P41182 1/20 0.32
PIK3CB P42338 2/20 0.32
AKT1 P31749 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
SCHEMBL27252322 0.87 GSK3B (0.37) PIK3CAMTORGSK3BDGKZPIK3CD
SCHEMBL29310609 0.85 GSK3B (0.36) PIK3CAMTORGSK3BDGKZPIK3CD
SCHEMBL29314306 0.78 PIK3CA (0.39) PIK3CAMTORGSK3BPIK3CDPIK3CG
SCHEMBL27252321 0.77 GSK3B (0.41) PIK3CAMTORGSK3BPIK3CDPIK3CG
SCHEMBL27250770 0.77 PDE10A (0.44) PIK3CAMTORGSK3BMAT2AELANE
SCHEMBL27251709 0.76 ADORA2A (0.41) PIK3CAMTORGSK3BPRKDCPDE4B
SCHEMBL30827633 0.76 ADORA2A (0.41) PIK3CAMTORGSK3BPRKDCPDE4B
SCHEMBL29311431 0.75 PDE3B (0.44) PIK3CAPIK3CDPIK3CGBCL6PIK3CB
SCHEMBL29311430 0.72 GRM2 (0.43) DGKZPDE4BPDE4DADORA2A
SCHEMBL24405558 0.72 PGR (0.43) PIK3CAMTORGSK3BPIK3CDPIK3CG

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-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 PIK3CA 1197/4885MTOR 2200/4885GSK3B 130/4885

“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.