SCHEMBL4328360

SCHEMBL4328360

c1nc(N2CCOCC2)nc(N2C3CCCC2COC3)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.47
▸ MTOR P42345 15/20 0.47
▸ RICTOR Q6R327 1/20 0.47
▸ RPTOR Q8N122 1/20 0.47
▸ MAPKAP1 Q9BPZ7 1/20 0.47
▸ MLST8 Q9BVC4 1/20 0.47
▸ PIK3CG P48736 11/20 0.46
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ PIK3R1 P27986 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4326928 0.94 PIK3CA (0.52) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL21375722 0.80 PIK3CA (0.47) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16238117 0.79 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL2524177 0.78 MAPK1 (0.58) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL20692938 0.78 MTOR (0.42) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL2523906 0.76 MAPK1 (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL4316997 0.76 TSHR (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL2525706 0.75 MTOR (0.41) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL4462376 0.74 MTOR (0.48) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL29880240 0.74 PIK3CA (0.52) PIK3CAMTORRICTORRPTORMAPKAP1

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 15 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-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-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 1/4885RICTOR 8/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
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 1/4885RICTOR 8/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885RICTOR 2/4885

“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.

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