SCHEMBL16625877

SCHEMBL16625877

Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCSC[C@H]2C3)cn1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.77
MTOR P42345 17/20 0.77
RPTOR Q8N122 8/20 0.77
MLST8 Q9BVC4 8/20 0.77
PIK3R1 P27986 7/20 0.77
RICTOR Q6R327 7/20 0.77
MAPKAP1 Q9BPZ7 7/20 0.77
PIK3CD O00329 1/20 0.57
PIK3C2B O00750 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
PRKDC P78527 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
PI4KB Q9UBF8 1/20 0.57

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
SCHEMBL16625646 1.00 PIK3CA (0.77) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL18031211 0.87 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL16625604 0.87 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL16625599 0.87 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL18011614 0.82 PIK3CA (0.75) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL18011613 0.82 PIK3CA (0.75) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL16625878 0.82 PIK3CA (0.75) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL16625876 0.82 PIK3CA (0.75) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL16620463 0.79 PIK3CA (0.80) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL20708101 0.79 PIK3CA (0.80) PIK3CAMTORRPTORMLST8PIK3R1

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 1/4885RPTOR 16/4885

“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.