SCHEMBL361423

SCHEMBL361423

CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)COC(C)(C(F)(F)F)C(N)=N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 11/20 1.00
APP P05067 9/20 1.00
CYP3A4 P08684 4/20 0.80
CYP2D6 P10635 3/20 0.80
CTSD P07339 1/20 0.80
CYP2C9 P11712 1/20 0.78

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
SCHEMBL360957 1.00 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL362434 0.91 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL362828 0.91 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL15345214 0.89 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL10469283 0.89 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL360548 0.88 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL29430233 0.88 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL14325981 0.88 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL361158 0.87 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL361406 0.87 BACE1 (1.00) BACE1BACE2APPCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO 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 (1 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-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885

“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.