SCHEMBL3627869

SCHEMBL3627869

COc1cc(C=Cc2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 17/20 1.00
▸ PSEN2 P49810 17/20 1.00
▸ APH1B Q8WW43 17/20 1.00
▸ NCSTN Q92542 17/20 1.00
▸ APH1A Q96BI3 17/20 1.00
▸ PSENEN Q9NZ42 17/20 1.00
▸ KCNH2 Q12809 8/20 1.00
▸ APP P05067 1/20 0.64
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3627865 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3622774 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3624672 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3622777 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3624673 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6977895 0.86 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6978827 0.85 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6984960 0.85 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3627444 0.83 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3627440 0.83 PSEN1 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 — — US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 — — US disclosed
EP-2117311-A1 THERAPEUTIC AGENTS Merck & Co., Inc. (US) 2009-11-18 — — EP disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 — — 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PSEN1 2/4885PSEN2 1/4885APH1B 20/4885

“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.

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