SCHEMBL3243768

SCHEMBL3243768

COc1cc(C2(c3cccc(OCCCF)c3)NC(N)c3ncccc32)ccn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3242727 0.89 BACE1 (0.37) BACE1
SCHEMBL3245524 0.89 HCAR2 (0.31) BACE1HCAR2
SCHEMBL3240569 0.88 BACE1 (0.32) BACE1HCAR2
SCHEMBL3245129 0.86 KDM1A (0.31) KDM1AALOX15TSHRMAPK1HSD17B10
SCHEMBL3239146 0.85 P2RX7 (0.34) BACE1KCNH2LOXLOXL2
SCHEMBL3243721 0.85 GCK (0.33) BACE1ALOX15TSHRMAPK1HSD17B10
SCHEMBL3239193 0.84 BACE1 (0.35) BACE1
SCHEMBL3357425 0.83
SCHEMBL3244330 0.82 BACE1 (0.35) BACE1
SCHEMBL3357409 0.80 BACE1 (0.42) BACE1KCNH2

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
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885KDM1A 4044/4885

“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.