SCHEMBL12005013

SCHEMBL12005013

O=C(O)C1COCCN1c1nc(Cl)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.41
BCR P11274 15/20 0.41
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
MTOR P42345 1/20 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
SCHEMBL12005011 1.00 ABL1 (0.41) ABL1BCRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL12006296 1.00 ABL1 (0.41) ABL1BCRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL12019742 0.89 ABL1 (0.40) ABL1BCRALDH1A1MAPK1TSHR
SCHEMBL12005623 0.82 ABL1 (0.36) ABL1BCRALDH1A1MAPK1MTOR
SCHEMBL13730197 0.80 POLB (0.42) ABL1BCRMAPK1
SCHEMBL12005612 0.80 ABL1 (0.39) ABL1BCRMAPK1
SCHEMBL12004865 0.79 ABL1 (0.38) ABL1BCRALDH1A1MAPK1
SCHEMBL12006767 0.78 PRCP (0.44) ABL1BCR
SCHEMBL12019602 0.78 PRCP (0.44) ABL1BCR
SCHEMBL12004859 0.78 PRCP (0.44) ABL1BCR

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 17 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
EP-2678342-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES Takeda Pharmaceutical Company Limited (JP) 2014-01-01 EP disclosed
CN-103384672-A N-substituted oxazinopteridines and oxazinopteridinones TAKAEDA CHEMICAL IND LTD 2013-11-06 CN 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
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 ABL1 1579/4885BCR 1146/4885GUCY1B2 750/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 ABL1 1579/4885BCR 1146/4885GUCY1B2 750/4885

“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.