SCHEMBL3239146

SCHEMBL3239146

NC1NC(c2cccc(OCCCF)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
BACE1 P56817 5/20 0.33
KCNH2 Q12809 3/20 0.33
CETP P11597 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
LOX P28300 1/20 0.31

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
SCHEMBL3236753 0.89 BACE1 (0.34) P2RX7BACE1KCNH2CETP
SCHEMBL3240569 0.88 BACE1 (0.32) P2RX7BACE1
SCHEMBL3245524 0.87 HCAR2 (0.31) BACE1
SCHEMBL3249132 0.87 KDM1A (0.38) P2RX7BACE1KCNH2CETP
SCHEMBL3243768 0.85 BACE1 (0.33) BACE1KCNH2LOXL2LOX
SCHEMBL3243561 0.85 PDK2 (0.38) P2RX7BACE1KCNH2CETP
SCHEMBL3242727 0.84 BACE1 (0.37) BACE1
SCHEMBL3239193 0.84 BACE1 (0.35) P2RX7BACE1
SCHEMBL3357636 0.82 BACE1 (0.36) BACE1KCNH2LOXL2
SCHEMBL3239041 0.82 BACE1 (0.36) BACE1KCNH2LOXL2

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-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
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 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 P2RX7 2947/4885BACE1 3/4885KCNH2 4652/4885

“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.