SCHEMBL12005646

SCHEMBL12005646

Cc1nccn1-c1ncc(Br)c(N2CCOCC2C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
PIK3CA P42336 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
ABL1 P00519 4/20 0.36
BCR P11274 4/20 0.36
ATR Q13535 2/20 0.35
CHEK1 O14757 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
PLK1 P53350 2/20 0.34
PLK2 Q9NYY3 2/20 0.34

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
SCHEMBL12005616 0.80 AADAT (0.38) MTORPDCD1CD274MAPK1ABL1
SCHEMBL12005013 0.77 ABL1 (0.41) MTORALDH1A1MAPK1TSHRABL1
SCHEMBL12005011 0.77 ABL1 (0.41) MTORALDH1A1MAPK1TSHRABL1
SCHEMBL12006296 0.77 ABL1 (0.41) MTORALDH1A1MAPK1TSHRABL1
SCHEMBL12005399 0.71 PIK3CB (0.53) MTORPIK3CAATR
SCHEMBL12019742 0.68 ABL1 (0.40) ALDH1A1MAPK1TSHRABL1BCR
SCHEMBL20154103 0.68 MTOR (0.49) MTORPDCD1CD274PIK3CAATR
SCHEMBL12005612 0.65 ABL1 (0.39) MAPK1ABL1BCR
SCHEMBL12005623 0.65 ABL1 (0.36) MTORPIK3CAALDH1A1MAPK1ABL1
SCHEMBL12006552 0.64 GUCY1B2 (0.35) ABL1BCRGUCY1B2GUCY1A2GUCY1A1

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
EP-2678342-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES Takeda Pharmaceutical Company Limited (JP) 2014-01-01 EP disclosed
WO-2012148548-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-01 WO 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 17/4885PDCD1 613/4885CD274 1160/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 MTOR 17/4885PDCD1 613/4885CD274 1160/4885

“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.