SCHEMBL29314306

SCHEMBL29314306

Cc1ccc(-n2c(=O)n(C)c3cc(C#N)cnc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
MTOR P42345 3/20 0.39
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP2 O95551 1/20 0.36
MAOB P27338 1/20 0.36
PTGER4 P35408 1/20 0.35
PRKDC P78527 3/20 0.35
BCL6 P41182 2/20 0.34
ELANE P08246 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CG P48736 2/20 0.34
AKT1 P31749 1/20 0.33
PIK3CB P42338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 1/20 0.33
AR P10275 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
SCHEMBL27252335 0.87 HSD17B10 (0.42) PIK3CAMTORHSD17B10HPGDHTT
SCHEMBL30825930 0.87 HSD17B10 (0.42) PIK3CAMTORHSD17B10HPGDHTT
SCHEMBL27446467 0.85 HSD17B10 (0.35) PIK3CAMTORHSD17B10HPGDHTT
SCHEMBL27259782 0.81 CCR6 (0.39) PIK3CAMTORPRKDC
SCHEMBL30825923 0.81 CCR6 (0.39) PIK3CAMTORPRKDC
SCHEMBL27263578 0.79 PRKDC (0.46) PIK3CAMTORPRKDC
SCHEMBL29311521 0.78 HSD17B10 (0.57) PIK3CAMTORHSD17B10HPGDHTT
SCHEMBL29311703 0.78 PIK3CA (0.41) PIK3CAMTORPRKDCBCL6ELANE
SCHEMBL27250770 0.77 PDE10A (0.44) PIK3CAMTORHPGDELANEGSK3B
SCHEMBL30827696 0.76 ADORA2A (0.39) PIK3CAMTORPRKDC

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 2200/4885HSD17B10 213/4885

“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.