SCHEMBL2540565

SCHEMBL2540565

O=C(Nc1ccccc1)N(c1ncnc(N2CC3CCC2CO3)n1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.40
MTOR P42345 8/20 0.38
PIK3CG P48736 5/20 0.38
PTPN11 Q06124 2/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL2539904 0.84 PIK3CA (0.52) PIK3CAMTORPIK3CG
SCHEMBL2536249 0.81 PIK3CA (0.48) PIK3CAMTORPIK3CGPTPN11
SCHEMBL2540569 0.80 PIK3CA (0.34) PIK3CAMTORPIK3CGALDH1A1LMNA
SCHEMBL2535323 0.78 PTPN11 (0.49) PIK3CAMTORPIK3CGPTPN11ALDH1A1
SCHEMBL2540412 0.75 MTOR (0.47) PIK3CAMTORPIK3CGPTPN11ALDH1A1
SCHEMBL2535568 0.75 PTPN11 (0.50) PIK3CAMTORPIK3CGPTPN11ALDH1A1
SCHEMBL2535639 0.72 PTPN11 (0.49) PIK3CAMTORPIK3CGPTPN11ALDH1A1
SCHEMBL2534318 0.71 MTOR (0.43) PIK3CAMTORPIK3CGLMNA
SCHEMBL4314309 0.71 CYP1A2 (0.39) PIK3CAMTORALDH1A1CYP3A4
SCHEMBL16156145 0.70 TSHR (0.45) PIK3CAMTORPIK3CGALDH1A1L3MBTL1

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-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors PFIZER INC. (US) 2018-07-17 US 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
US-9174963-B2 Triazine compounds as PI3 kinase and MTOR inhibitors PFIZER INC. (US) 2015-11-03 US disclosed
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2015-01-08 US disclosed
US-8859542-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2014-10-14 US disclosed
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2014-09-04 US disclosed
US-8748421-B2 Triazine compounds as P13 kinase and MTOR inhibitors WYETH LLC (US) 2014-06-10 US disclosed
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS PFIZER INC. (US) 2013-11-28 US disclosed
US-8575159-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2013-11-05 US disclosed
US-8445486-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2013-05-21 US 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
US-20090304692-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) 2009-12-10 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20150011752-A1 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-20090304692-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-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CG 21/4885
US-20130315865-A1 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.