SCHEMBL16625872

SCHEMBL16625872

CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5c(n4)N4CCOC[C@H]4C5)cc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.69
MTOR P42345 16/20 0.69
PIK3CG P48736 5/20 0.69
PIK3CB P42338 2/20 0.69
PIK3CD O00329 1/20 0.69
PIK3C2B O00750 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
PIK3R1 P27986 1/20 0.54

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
SCHEMBL16625649 1.00 PIK3CA (0.69) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL18431430 1.00 PIK3CA (0.69) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL20708238 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL16625873 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL16625644 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL16625647 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL20708242 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL16625874 0.93 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL16620072 0.83 MTOR (0.63) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL16625491 0.83 MTOR (0.63) PIK3CAMTORPIK3CGPIK3CDPIK3R1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052504-B1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIV BASEL (CH) 2019-02-06 EP claimed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US claimed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US claimed
EP-3052504-B1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIV BASEL (CH) 2019-02-06 EP disclosed
EP-3052504-B1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIV BASEL (CH) 2019-02-06 EP disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
WO-2015049369-A1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIVERSITAET BASEL (CH) 2015-04-09 WO 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 (1 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-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS MTOR, RICTOR, PIK3R4 PIK3CA 15/4885MTOR 1/4885PIK3CG 37/4885

“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.