Sugi Predict

Sugi Predict / Compounds / SCHEMBL1089183

SCHEMBL1089183

SCHEMBL1089183

CC(C)(C)OC(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.77
▸ PIK3CA P42336 17/20 0.74
▸ PIK3CB P42338 13/20 0.72
▸ PIK3CG P48736 13/20 0.72
▸ MTOR P42345 2/20 0.72
▸ PIK3C2A O00443 1/20 0.72
▸ PLK4 O00444 1/20 0.72
▸ PIK3R2 O00459 1/20 0.72
▸ PIK3C2B O00750 1/20 0.72
▸ GAK O14976 1/20 0.72
▸ EPHB6 O15197 1/20 0.72
▸ DAPK3 O43293 1/20 0.72
▸ STK16 O75716 1/20 0.72
▸ PIK3C2G O75747 1/20 0.72
▸ NTRK1 P04629 1/20 0.72
▸ NQO2 P16083 1/20 0.72
▸ CSNK2A2 P19784 1/20 0.72
▸ JAK1 P23458 1/20 0.72
▸ PIK3R1 P27986 1/20 0.72
▸ TYK2 P29597 1/20 0.72

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
SCHEMBL1497574 0.95 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL190847 0.92 PIK3CA (0.78) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL190254 0.91 PIK3CA (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL8072175 0.91 PIK3CA (0.75) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL189747 0.91 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL390171 0.90 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1497525 0.90 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL190113 0.90 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL189730 0.90 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL189766 0.90 PIK3CA (0.81) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 28 patents — showing the first 20. 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-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 — — EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 — — US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 — — US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 — — US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 — — EP 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
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 — — US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 — — US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 — — US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 — — 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 (7 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3CB 14/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3CB 14/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP PIK3CD 4347/4885PIK3CA 4464/4885PIK3CB 4185/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CD 5/4885PIK3CA 1/4885PIK3CB 2/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP PIK3CD 4347/4885PIK3CA 4464/4885PIK3CB 4185/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3CB 14/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3CB 14/4885

“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.