SCHEMBL1301231

SCHEMBL1301231

CNCc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.76
PIK3CG P48736 9/20 0.67
PIK3CD O00329 9/20 0.67
PIK3CB P42338 8/20 0.67
MTOR P42345 4/20 0.64
PIK3C2B O00750 1/20 0.63
CCNE2 O96020 1/20 0.63
PRKACA P17612 1/20 0.63
PRKACG P22612 1/20 0.63
PRKACB P22694 1/20 0.63
CCNE1 P24864 1/20 0.63
CDK2 P24941 1/20 0.63
KDR P35968 1/20 0.63

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
SCHEMBL960919 0.86 PIK3CA (0.87) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL964649 0.85 PIK3CA (0.86) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL12464157 0.85 PIK3CA (1.00) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL960078 0.84 PIK3CA (1.00) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL958760 0.84 PIK3CA (0.86) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL29439930 0.84 PIK3CA (1.00) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL959755 0.83 PIK3CA (0.81) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL28799921 0.83 PIK3CA (0.77) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10316567 0.82 PIK3CA (0.81) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17255579 0.82 PIK3CA (0.83) PIK3CAPIK3CGPIK3CDPIK3CBMTOR

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 17 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-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-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP PIK3CA 4464/4885PIK3CG 4388/4885PIK3CD 4347/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885PIK3CG 6/4885PIK3CD 5/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP PIK3CA 4464/4885PIK3CG 4388/4885PIK3CD 4347/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP PIK3CA 4464/4885PIK3CG 4388/4885PIK3CD 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.