SCHEMBL3239041

SCHEMBL3239041

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.36
KCNH2 Q12809 5/20 0.36
SYK P43405 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNQ2 O43526 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL3357636 0.88 BACE1 (0.36) BACE1KCNH2SYKKCNQ2LOXL2
SCHEMBL3249132 0.85 KDM1A (0.38) BACE1KCNH2SYKOPRL1
SCHEMBL3360710 0.85 BACE1 (0.31) BACE1KCNH2
SCHEMBL3358442 0.84 BACE1 (0.42) BACE1KCNH2SYK
SCHEMBL3359269 0.84 BACE1 (0.48) BACE1KCNH2
SCHEMBL3359280 0.83 BACE1 (0.56) BACE1KCNH2
SCHEMBL3244258 0.82 HDAC4 (0.37) BACE1KCNH2SYKOPRM1OPRL1
SCHEMBL3359149 0.81 BACE1 (0.39) BACE1KCNH2KCNQ2
SCHEMBL3358432 0.80 BACE1 (0.45) BACE1KCNH2
SCHEMBL3236753 0.80 BACE1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885SYK 2212/4885

“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.