SCHEMBL16625652

SCHEMBL16625652

COC(=O)Nc1ncc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@@H]2C3)cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
MTOR P42345 20/20 0.66
RICTOR Q6R327 20/20 0.66
RPTOR Q8N122 20/20 0.66
MAPKAP1 Q9BPZ7 20/20 0.66
MLST8 Q9BVC4 20/20 0.66
PIK3R1 P27986 16/20 0.60
PIK3CD O00329 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
PIK3C3 Q8NEB9 2/20 0.55

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
SCHEMBL16625495 1.00 PIK3CA (0.66) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL18431649 1.00 PIK3CA (0.66) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16620711 0.90 PIK3CA (0.70) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL18011608 0.90 PIK3CA (0.70) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL20708136 0.89 PIK3CA (0.66) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16625493 0.89 PIK3CA (0.66) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16620708 0.89 PIK3CA (0.66) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16625497 0.88 PIK3CA (0.65) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL20708148 0.88 PIK3CA (0.65) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL16625643 0.88 PIK3CA (0.65) 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 7 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 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-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 1/4885RICTOR 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.