SCHEMBL12019602

SCHEMBL12019602

C[C@H](NC(=O)[C@@H]1COCCN1c1nc(Cl)ncc1Br)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.44
ACACB O00763 7/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
AKT1 P31749 3/20 0.39
KCNH2 Q12809 3/20 0.37
KIT P10721 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL12006767 1.00 PRCP (0.44) PRCPACACBGAAHPGDSMN1; SMN2
SCHEMBL12004859 1.00 PRCP (0.44) PRCPACACBGAAHPGDSMN1; SMN2
SCHEMBL12006263 0.94 ACACB (0.40) PRCPACACBABL1BCRKCNH2
SCHEMBL12005612 0.93 ABL1 (0.39) PRCPACACBGAAHPGDABL1
SCHEMBL12004865 0.81 ABL1 (0.38) ABL1BCR
SCHEMBL12005013 0.78 ABL1 (0.41) ABL1BCR
SCHEMBL12005011 0.78 ABL1 (0.41) ABL1BCR
SCHEMBL12006296 0.78 ABL1 (0.41) ABL1BCR
SCHEMBL12005623 0.77 ABL1 (0.36) ABL1BCR
SCHEMBL12019742 0.77 ABL1 (0.40) 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 5 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
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-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

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 PRCP 3781/4885ACACB 3850/4885GAA 3401/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 PRCP 3781/4885ACACB 3850/4885GAA 3401/4885

“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.