SCHEMBL12005160

SCHEMBL12005160

C[C@H](c1ccc(Cl)cc1)N1C(=O)C2COCCN2c2nc(Cl)ncc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.38
PIK3CA P42336 2/20 0.38
MDM2 Q00987 6/20 0.35
BRD4 O60885 2/20 0.33
IDH1 O75874 2/20 0.32
ACACB O00763 1/20 0.32
FFAR2 O15552 1/20 0.31
HSD11B1 P28845 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL12005428 1.00 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12006128 1.00 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12006130 1.00 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12005426 1.00 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12005512 0.93 MTOR (0.40) MTORPIK3CABRD4ACACB
SCHEMBL12006575 0.92 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12018388 0.92 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL12006577 0.92 MTOR (0.38) MTORPIK3CAMDM2BRD4IDH1
SCHEMBL2071278 0.87 MTOR (0.40) MTORPIK3CA
SCHEMBL12006287 0.86 PIK3CA (0.42) MTORPIK3CA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
EP-2678342-B1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL (JP) 2015-01-07 EP disclosed
EP-2678342-B1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL (JP) 2015-01-07 EP disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 US disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 US disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 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-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 MTOR 17/4885PIK3CA 2/4885MDM2 1262/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 MTOR 17/4885PIK3CA 2/4885MDM2 1262/4885

“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.