SCHEMBL10299783

SCHEMBL10299783

CC(C)NC1CN2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.32

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
SCHEMBL10299782 0.89 CA12 (0.44) CA12CA1CA2CA9GAA
SCHEMBL17170664 0.89 CA12 (0.44) CA12CA1CA2CA9GAA
SCHEMBL17170634 0.89 CA12 (0.44) CA12CA1CA2CA9GAA
SCHEMBL13624167 0.76
SCHEMBL8324789 0.72 CHRM1 (0.45) CHRM1CA12CA1CA2CA9
SCHEMBL8312751 0.72 CHRM1 (0.45) CHRM1CA12CA1CA2CA9
SCHEMBL15293509 0.71 CHRM1 (0.36) CHRM1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8430720 0.70 CHRNA7 (0.39) CHRM1CA12CA1CA2CA9
SCHEMBL14577538 0.68 CHRM1 (0.41) CHRM1CA12CA1CA2CA9
SCHEMBL13641309 0.67 CHRNB4 (0.41) CHRM1CHRM2CHRM4CHRM3CHRNA7

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 18 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-8859542-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2014-10-14 US disclosed
US-8748421-B2 Triazine compounds as P13 kinase and MTOR inhibitors WYETH LLC (US) 2014-06-10 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-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-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-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-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
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 (7 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 CHRM1 4055/4885CA12 4614/4885CA1 4664/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM1 4248/4885CA12 4689/4885CA1 4592/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM1 4248/4885CA12 4689/4885CA1 4592/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM1 4248/4885CA12 4689/4885CA1 4592/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM1 4248/4885CA12 4689/4885CA1 4592/4885
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 CHRM1 4055/4885CA12 4614/4885CA1 4664/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA CHRM1 4248/4885CA12 4689/4885CA1 4592/4885

“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.