SCHEMBL7944990

SCHEMBL7944990

CN1C(=O)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccn2)N=C1N

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.50
CBLB Q13191 1/20 0.41
BACE2 Q9Y5Z0 2/20 0.38

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
SCHEMBL12445673 0.91 BACE1 (0.49) BACE1CBLBBACE2
SCHEMBL7933958 0.88 BACE1 (0.54) BACE1BACE2
SCHEMBL7944984 0.88 BACE1 (0.51) BACE1BACE2
SCHEMBL7940446 0.86 BACE1 (0.65) BACE1CBLB
SCHEMBL7945609 0.85 BACE1 (0.67) BACE1BACE2
SCHEMBL7941989 0.84 BACE1 (0.57) BACE1BACE2
SCHEMBL12301420 0.83 BACE1 (0.49) BACE1BACE2
SCHEMBL7943376 0.83 BACE1 (0.53) BACE1BACE2
SCHEMBL10278480 0.82 BACE1 (0.56) BACE1CBLB
SCHEMBL7940429 0.81 BACE1 (0.44) BACE1BACE2

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885CBLB 3817/4885BACE2 3/4885

“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.