SCHEMBL17784376

SCHEMBL17784376

CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)COC1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CYP2D6 P10635 1/20 0.81
KCNH2 Q12809 1/20 0.81
BACE2 Q9Y5Z0 1/20 0.66

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
SCHEMBL18044371 0.89 BACE1 (1.00) BACE1CYP2D6KCNH2BACE2
SCHEMBL14889659 0.89 BACE1 (1.00) BACE1CYP2D6KCNH2
SCHEMBL14889658 0.89 BACE1 (1.00) BACE1CYP2D6KCNH2
SCHEMBL14889814 0.88 BACE1 (0.79) BACE1CYP2D6KCNH2
SCHEMBL14889812 0.88 BACE1 (0.79) BACE1CYP2D6KCNH2
SCHEMBL18044370 0.88 BACE1 (0.78) BACE1CYP2D6KCNH2
SCHEMBL15028651 0.87 BACE1 (0.81) BACE1CYP2D6KCNH2BACE2
SCHEMBL16241483 0.87 BACE1 (0.81) BACE1CYP2D6KCNH2BACE2
SCHEMBL16241484 0.87 BACE1 (0.81) BACE1CYP2D6KCNH2BACE2
SCHEMBL19714244 0.86 BACE1 (1.00) BACE1CYP2D6KCNH2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US claimed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP claimed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US claimed

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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885CYP2D6 3477/4885KCNH2 3985/4885

“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.