SCHEMBL1300089

SCHEMBL1300089

C=CC(=O)N1CCN(c2ccnc3ccc(C=C4SC(=O)NC4=O)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.53
PIM1 P11309 4/20 0.53
PIK3CD O00329 3/20 0.53
CSNK2A2 P19784 3/20 0.53
PIK3CA P42336 3/20 0.53
CLK1 P49759 3/20 0.53
DYRK1A Q13627 3/20 0.53
PIK3CB P42338 2/20 0.53
MTOR P42345 2/20 0.53
GAK O14976 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK10 O94804 1/20 0.53
MAP2K2 P36507 1/20 0.53
CSNK1D P48730 1/20 0.53
CLK2 P49760 1/20 0.53
CSNK1G2 P78368 1/20 0.53
MAP2K1 Q02750 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
Q6ZSR9 Q6ZSR9 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53

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
SCHEMBL1300088 1.00 PIK3CG (0.53) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL1300086 1.00 PIK3CG (0.53) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL12264749 0.93 CLK1 (0.46) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL12107156 0.91 PIM1 (0.52) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL2396022 0.86 PIM1 (0.63) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL2396018 0.86 PIM1 (0.63) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL1497349 0.86 PIM1 (0.63) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL2397451 0.85 GPR119 (0.53) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL2397448 0.85 GPR119 (0.53) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA
SCHEMBL2397446 0.85 GPR119 (0.53) PIK3CGPIM1PIK3CDCSNK2A2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP PIK3CG 4388/4885PIM1 879/4885PIK3CD 4347/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP PIK3CG 4388/4885PIM1 879/4885PIK3CD 4347/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP PIK3CG 4388/4885PIM1 879/4885PIK3CD 4347/4885

“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.