SCHEMBL16620641

SCHEMBL16620641

O=C(O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@H]2C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.62
PIK3CA P42336 17/20 0.62
RPTOR Q8N122 13/20 0.62
MLST8 Q9BVC4 13/20 0.62
RICTOR Q6R327 12/20 0.62
MAPKAP1 Q9BPZ7 12/20 0.62
PIK3R1 P27986 10/20 0.62
PIK3CG P48736 4/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48

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
SCHEMBL18011637 1.00 MTOR (0.62) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16620072 0.89 MTOR (0.63) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16625491 0.89 MTOR (0.63) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16625633 0.89 MTOR (0.59) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16625494 0.89 MTOR (0.59) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18011590 0.87 PIK3CA (0.68) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16619908 0.87 PIK3CA (0.68) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL16620711 0.85 PIK3CA (0.70) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18011608 0.85 PIK3CA (0.70) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL20694890 0.82 PIK3CA (0.60) MTORPIK3CARPTORMLST8RICTOR

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 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-A1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS Universität Basel (CH) 2016-08-10 EP claimed
WO-2015049369-A1 CONFORMATIONALLY RESTRICTED PI3K AND MTOR INHIBITORS UNIVERSITAET BASEL (CH) 2015-04-09 WO claimed
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

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 MTOR 1/4885PIK3CA 15/4885RPTOR 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.