SCHEMBL2535643

SCHEMBL2535643

CC(C)N1CCCN(c2ncnc(N(C(=O)NN3CCOCC3)c3ccccc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 2/20 0.36
PIK3CA P42336 2/20 0.36
F12 P00748 2/20 0.35
F2 P00734 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3R1 P27986 1/20 0.34
SCN9A Q15858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL2535324 0.88 PIK3CA (0.41) PTPN11LMNATSHRPIK3CAPKM
SCHEMBL2533512 0.81 LMNA (0.45) PTPN11LMNATSHRACHEPIK3CA
SCHEMBL2535639 0.79 PTPN11 (0.49) PTPN11LMNATSHRACHEPIK3CA
SCHEMBL2536252 0.76 MTOR (0.40) PIK3CAALDH1A1KMT2A
SCHEMBL2535020 0.76 LMNA (0.47) PTPN11LMNATSHRACHEPIK3CA
SCHEMBL2539908 0.76 PIK3CA (0.43) PIK3CA
SCHEMBL2540416 0.76 CDK5 (0.42) LMNAPIK3CAALDH1A1KMT2APOLB
SCHEMBL2535576 0.75 PKM (0.41) PTPN11LMNATSHRPIK3CAPKM
SCHEMBL2536344 0.73 PIK3CA (0.51) PTPN11LMNATSHRPIK3CAPKM
SCHEMBL2540569 0.72 PIK3CA (0.34) LMNATSHRPIK3CAPKMALDH1A1

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 16 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-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 (9 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 PTPN11 486/4885LMNA 4229/4885TSHR 1231/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 1148/4885
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PTPN11 541/4885LMNA 4558/4885TSHR 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.