SCHEMBL32570

SCHEMBL32570

COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCCCC4)nc(N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.92
MTOR P42345 19/20 0.92
PIK3CG P48736 19/20 0.92
ALDH1A1 P00352 1/20 0.64
TSHR P16473 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL32154 0.99 PIK3CA (0.94) PIK3CAMTORPIK3CG
SCHEMBL32321 0.97 PIK3CA (0.94) PIK3CAMTORPIK3CG
SCHEMBL32518 0.96 MTOR (0.92) PIK3CAMTORPIK3CG
SCHEMBL32238 0.96 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL32558 0.91 PIK3CA (0.90) PIK3CAMTORPIK3CG
SCHEMBL32489 0.90 MTOR (0.81) PIK3CAMTORPIK3CG
SCHEMBL32207 0.90 PIK3CA (0.88) PIK3CAMTORPIK3CG
SCHEMBL1409356 0.90 PIK3CA (0.88) PIK3CAMTORPIK3CG
SCHEMBL32697 0.90 PIK3CA (0.80) PIK3CAMTORPIK3CG
SCHEMBL32441 0.88 PIK3CA (0.91) PIK3CAMTORPIK3CG

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
EP-3216793-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2017-09-13 EP claimed
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2013-01-03 US claimed
US-8039469-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2011-10-18 US claimed
JP-2011522802-A 2011-08-04 JP claimed
EP-2294072-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-16 EP claimed
US-20090291079-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease WYETH (US) 2009-11-26 US claimed
WO-2009143313-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 WO claimed
EP-3216793-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2019-03-27 EP disclosed
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors PFIZER INC. (US) 2018-07-17 US disclosed
EP-3216793-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2017-09-13 EP disclosed
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2017-08-10 US disclosed
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-05-04 US disclosed
EP-2294072-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-03-29 EP disclosed
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS PFIZER INC. (US) 2013-05-02 US disclosed
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2013-01-03 US disclosed
US-8217036-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2012-07-10 US disclosed
US-8039469-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2011-10-18 US disclosed
EP-2294072-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-16 EP disclosed
US-20090291079-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease WYETH (US) 2009-11-26 US disclosed
WO-2009143313-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 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 (6 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-20090291079-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease MTOR, PIK3CA, PIK3R3 PIK3CA 2/4885MTOR 1/4885PIK3CG 18/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885

“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.