SCHEMBL16625489

SCHEMBL16625489

Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 18/20 0.75
RPTOR Q8N122 12/20 0.75
MLST8 Q9BVC4 12/20 0.75
RICTOR Q6R327 11/20 0.75
MAPKAP1 Q9BPZ7 11/20 0.75
PIK3R1 P27986 9/20 0.75
PIK3CD O00329 1/20 0.61
PIK3C2B O00750 1/20 0.61
PIK3CB P42338 1/20 0.61
PIK3CG P48736 1/20 0.61
PRKDC P78527 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
PI4KB Q9UBF8 1/20 0.61

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
SCHEMBL18031212 1.00 PIK3CA (1.00) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625678 1.00 PIK3CA (1.00) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625487 0.86 PIK3CA (0.76) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625674 0.86 PIK3CA (0.76) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL18431429 0.86 PIK3CA (0.75) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625677 0.86 PIK3CA (0.75) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625485 0.86 PIK3CA (0.75) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625675 0.86 PIK3CA (0.75) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL16625486 0.86 PIK3CA (0.75) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL18031211 0.86 PIK3CA (1.00) PIK3CAMTORRPTORMLST8RICTOR

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 9 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
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 1/4885RPTOR 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.