SCHEMBL2071278

SCHEMBL2071278

CC(C)N1C(=O)C2COCCN2c2nc(Cl)ncc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
PIK3CA P42336 3/20 0.40
PRKDC P78527 1/20 0.34
NUDT1 P36639 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.30
PIK3CD O00329 2/20 0.30
NR3C2 P08235 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
RICTOR Q6R327 1/20 0.30
RPTOR Q8N122 1/20 0.30
MAPKAP1 Q9BPZ7 1/20 0.30
MLST8 Q9BVC4 1/20 0.30

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
SCHEMBL12006130 0.87 MTOR (0.38) MTORPIK3CA
SCHEMBL12006128 0.87 MTOR (0.38) MTORPIK3CA
SCHEMBL12006575 0.87 MTOR (0.38) MTORPIK3CANUDT1PIK3C3PIK3CD
SCHEMBL12005428 0.87 MTOR (0.38) MTORPIK3CA
SCHEMBL12005426 0.87 MTOR (0.38) MTORPIK3CA
SCHEMBL12005160 0.87 MTOR (0.38) MTORPIK3CA
SCHEMBL12018388 0.87 MTOR (0.38) MTORPIK3CANUDT1PIK3C3PIK3CD
SCHEMBL12006577 0.87 MTOR (0.38) MTORPIK3CANUDT1PIK3C3PIK3CD
SCHEMBL12005512 0.86 MTOR (0.40) MTORPIK3CA
SCHEMBL2337312 0.85 PIK3CA (0.41) MTORPIK3CAPIK3CDPIK3CB

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-2470546-B1 HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-07-24 EP disclosed
US-8268819-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-18 US disclosed
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-12 US disclosed
EP-2470546-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
US-8163755-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
WO-2011025889-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 WO disclosed
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 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 (2 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-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS HPRT1, HCCS, NUDT1 MTOR 3606/4885PIK3CA 2480/4885PRKDC 4173/4885
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS MTOR, RICTOR, EIF4EBP1 MTOR 1/4885PIK3CA 16/4885PRKDC 1114/4885

“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.