SCHEMBL1422474

SCHEMBL1422474

CC1(c2ccc(F)c(Br)c2)CCSC(N)=N1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
KCNH2 Q12809 1/20 0.50
APP P05067 1/20 0.47
CTSD P07339 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL1422468 1.00 BACE1 (0.57) BACE1KCNH2APPCTSDBACE2
Hydrochloric Acid SCHEMBL17004596 0.99 BACE1 (0.56) BACE1KCNH2APPCTSDBACE2
Hydrochloric Acid SCHEMBL17004594 0.99 BACE1 (0.56) BACE1KCNH2APPCTSDBACE2
SCHEMBL10154536 0.82 BACE1 (0.58) BACE1KCNH2CTSDBACE2
SCHEMBL10155508 0.80 BACE1 (0.71) BACE1KCNH2CTSDBACE2
SCHEMBL1422402 0.80 BACE1 (0.69) BACE1KCNH2CTSDBACE2
SCHEMBL1422400 0.80 BACE1 (0.69) BACE1KCNH2CTSDBACE2
SCHEMBL3178800 0.79 BACE1 (0.46) BACE1APPBACE2
SCHEMBL3178808 0.79 BACE1 (0.46) BACE1APPBACE2
SCHEMBL10155523 0.79 BACE1 (0.64) BACE1KCNH2CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
CN-102015667-B Aminodihydrothiazine derivatives as BACE inhibitors for the treatment of alzheimer's disease LILLY CO ELI 2013-06-12 CN disclosed
CN-102015667-A Aminodihydrothiazine derivatives as BACE inhibitors for the treatment of alzheimer's disease LILLY CO ELI 2011-04-13 CN disclosed
EP-2297120-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Eli Lilly & Company (US) 2011-03-23 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
WO-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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 (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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885KCNH2 3033/4885APP 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.