SCHEMBL8913499

SCHEMBL8913499

COc1cc(Nc2nc3c(c(Cc4ccccc4)n2)CN(CC#N)CC3)ccc1N1C=NC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
PAK1 Q13153 6/20 0.36
TNIK Q9UKE5 2/20 0.34
C5AR1 P21730 1/20 0.34
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
PDE5A O76074 1/20 0.33
CSNK2A1 P68400 1/20 0.33
UGT1A1 P22309 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2478673 0.83 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2472498 0.72 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2482343 0.71 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453449 0.70 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8913495 0.69 ROCK2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2478792 0.68 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2483082 0.66 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481620 0.66 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842266 0.65 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2480237 0.65 PSEN1 (0.63) 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-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 9/4885

“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.