SCHEMBL3040146

SCHEMBL3040146

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 0.41
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP30 Q70CQ3 2/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
NR2E1 Q9Y466 1/20 0.33

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
SCHEMBL2828723 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29637047 0.80 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2824888 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038927 0.80 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3056259 0.80 USP30 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8095955 0.80 NR2E1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239907 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2825198 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2822671 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2828586 0.78 KCNA5 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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 6 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

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 PSEN1 2/4885PSEN2 3/4885APH1B 35/4885

“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.