SCHEMBL9948935

SCHEMBL9948935

CCn1cc(C2(c3cccc(-c4cncc(C)c4F)c3)N=C(N)c3c(F)cccc32)cc(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.78
KCNH2 Q12809 15/20 0.78
BACE2 Q9Y5Z0 5/20 0.72

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
SCHEMBL9948931 1.00 BACE1 (0.78) BACE1KCNH2BACE2
SCHEMBL9949363 0.88 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL10140391 0.88 BACE1 (0.88) BACE1KCNH2BACE2
SCHEMBL9949142 0.87 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL9949883 0.84 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL30132812 0.83 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL9948840 0.83 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL9949092 0.83 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL10140387 0.83 BACE1 (0.75) BACE1KCNH2BACE2
SCHEMBL9948901 0.83 BACE1 (0.73) BACE1KCNH2BACE2

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-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US claimed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 BACE1 1/4885KCNH2 4827/4885BACE2 2/4885

“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.