SCHEMBL2523906

SCHEMBL2523906

c1nc(N2CCCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.51
PIK3CA P42336 6/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CD O00329 2/20 0.50
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 1/20 0.49
PIK3R1 P27986 4/20 0.46
MTOR P42345 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
PTK2 Q05397 1/20 0.44
GAA P10253 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL2524177 0.94 MAPK1 (0.58) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL4316997 0.92 TSHR (0.59) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL16238117 0.92 PIK3CA (0.56) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL4328363 0.85 POLB (0.46) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL434846 0.81 POLB (0.55) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL254934 0.79 PIK3CA (0.56) MAPK1ALDH1A1PIK3CAPIK3CBPIK3CD
SCHEMBL30165732 0.79 PIK3CA (0.56) MAPK1ALDH1A1PIK3CAPIK3CBPIK3CD
SCHEMBL8108716 0.79 PIK3CA (0.49) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL10444873 0.79 PIK3CA (0.49) MAPK1ALDH1A1TSHRPIK3CAPIK3CB
SCHEMBL9029494 0.79 SMN1; SMN2 (0.52) MAPK1ALDH1A1TSHRSMN1; SMN2HTT

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 MAPK1 537/4885ALDH1A1 4809/4885TSHR 1231/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
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 MAPK1 537/4885ALDH1A1 4809/4885TSHR 1231/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA MAPK1 257/4885ALDH1A1 4096/4885TSHR 1148/4885

“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.