SCHEMBL7933540

SCHEMBL7933540

COc1ccc(NCCNc2nc(Nc3cc(C(C)(C)C)ccc3C)c3c(ncn3C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.66
PSEN2 P49810 7/20 0.66
APH1B Q8WW43 7/20 0.66
NCSTN Q92542 7/20 0.66
APH1A Q96BI3 7/20 0.66
PSENEN Q9NZ42 7/20 0.66
P2RX7 Q99572 3/20 0.39
ULK1 O75385 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK1 P06493 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
SHMT2 P34897 2/20 0.35
LMNA P02545 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL7939873 0.91 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12236258 0.90 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7940852 0.85 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2542989 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7931101 0.81 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7940574 0.81 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2521949 0.81 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7938370 0.81 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7942968 0.80 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7942214 0.80 PSEN1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-10-13 US disclosed
WO-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 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-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 12/4885

“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.