SCHEMBL1201489

SCHEMBL1201489

[c]1nc2c(s1)CN(CC1CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.32
RECQL P46063 1/20 0.32
PDE1B Q01064 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM5 P41594 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
SCHEMBL1201927 0.94 CHRM5 (0.37) RAD52RECQL
SCHEMBL1202584 0.93 CHRM5 (0.40)
SCHEMBL1202027 0.76 GRM5 (0.40) RAD52RECQLGRM5
SCHEMBL209145 0.75 HSD17B10 (0.36) RAD52RECQL
SCHEMBL1201992 0.75 GRM5 (0.48) RAD52RECQLGRM5
SCHEMBL1202784 0.73 GRM5 (0.50) RAD52RECQLGRM5
SCHEMBL1201616 0.73 RAB9A (0.49)
SCHEMBL1202801 0.73 RAD52 (0.36) RAD52RECQLGRM5
SCHEMBL208726 0.72 GRM5 (0.36) GRM5
SCHEMBL17088068 0.71 RAD52 (0.47) RAD52RECQLGRM5

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-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 (2 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAD52 4693/4885RECQL 3081/4885PDE1B 1187/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAD52 4693/4885RECQL 3081/4885PDE1B 1187/4885

“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.