SCHEMBL2522252

SCHEMBL2522252

NC1=NC2(CS1)c1ccccc1Oc1c2ccnc1-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.36
KCNH2 Q12809 2/20 0.36
ULK1 O75385 1/20 0.32
CDK7 P50613 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCE Q02156 1/20 0.32
CAMK2G Q13555 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MAP3K19 Q56UN5 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CTSD P07339 3/20 0.32

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
SCHEMBL2518932 0.82 BACE1 (0.36) BACE1KCNH2CTSD
SCHEMBL2521831 0.81 BACE1 (0.53) BACE1KCNH2CTSD
SCHEMBL2522345 0.77 BACE1 (0.33) BACE1
SCHEMBL2371017 0.77 BACE1 (0.36) BACE1KCNH2CTSD
SCHEMBL2524174 0.76 BACE1 (0.36) BACE1CTSD
SCHEMBL14629825 0.74 BACE1 (0.31) BACE1CTSD
SCHEMBL16223098 0.70 BACE1 (0.58) BACE1KCNH2CTSD
SCHEMBL2517653 0.69 BACE1 (0.56) BACE1KCNH2CTSD
SCHEMBL2526671 0.68 BACE1 (0.48) BACE1KCNH2CTSD
SCHEMBL2525174 0.67 BACE1 (0.43) BACE1KCNH2CTSD

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-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885KCNH2 3129/4885ULK1 2631/4885

“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.