SCHEMBL8091360

SCHEMBL8091360

C#Cc1ccc(-n2cnc(C)n2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
CYP3A4 P08684 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
UGT1A1 P22309 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
NR4A1 P22736 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL155501 0.86 AR (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14878330 0.81 KMT2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL158254 0.78 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL511425 0.78 NR4A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29637044 0.78 NR4A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157701 0.78 CHRNB2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156457 0.76 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124230 0.76 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4082710 0.75 ALDH1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20094522 0.75 TRPA1 (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 5 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-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 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.