SCHEMBL2525245

SCHEMBL2525245

Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc2ncn(C)c12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.64
PSEN2 P49810 7/20 0.64
APH1B Q8WW43 7/20 0.64
NCSTN Q92542 7/20 0.64
APH1A Q96BI3 7/20 0.64
PSENEN Q9NZ42 7/20 0.64
SCN9A Q15858 2/20 0.38
BRAF P15056 7/20 0.38
BRD4 O60885 1/20 0.37
MGAT2 Q10469 1/20 0.36
MAP4K1 Q92918 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2526744 0.92 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524363 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522694 0.90 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2520184 0.90 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2523287 0.89 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2520917 0.89 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7941001 0.88 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522680 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2523579 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2518947 0.86 PSEN1 (0.66) 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 3 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
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.