SCHEMBL3056259

SCHEMBL3056259

C#Cc1ccc(-n2cnc(C)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
PSEN1 P49768 18/20 0.40
PSEN2 P49810 18/20 0.40
APH1B Q8WW43 18/20 0.40
NCSTN Q92542 18/20 0.40
APH1A Q96BI3 18/20 0.40
PSENEN Q9NZ42 18/20 0.40
KCNH2 Q12809 2/20 0.38
GPR142 Q7Z601 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1457885 0.85 USP30 (0.46) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL8095955 0.82 NR2E1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3040146 0.80 PSEN1 (0.41) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL3045214 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127819 0.80 PSEN1 (0.43) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL1616928 0.77 NR2E1 (0.46) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL3055463 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3056041 0.75 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124276 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3040182 0.74 CYP1A2 (0.55) CYP3A4CYP2C19

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
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
WO-2008156580-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-12-24 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-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 USP30 1741/4885PSEN1 2/4885PSEN2 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.