SCHEMBL8513156

SCHEMBL8513156

N#CCC(=O)N1CCC(COc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
IRAK4 Q9NWZ3 9/20 0.46
GRM2 Q14416 8/20 0.45
JAK1 P23458 1/20 0.36

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
SCHEMBL8513973 0.88 GRM2 (0.43) GRM2
SCHEMBL8511021 0.86 GRM2 (0.43) GRM2
SCHEMBL8511978 0.86 GRM2 (0.44) IRAK4GRM2
SCHEMBL8510289 0.85 GRM2 (0.41) JAK3JAK2GRM2JAK1
SCHEMBL8512747 0.85 GRM2 (0.42) IRAK4GRM2
SCHEMBL8511794 0.85 GRM2 (0.43) GRM2
SCHEMBL8511742 0.83 GRM2 (0.43) GRM2
SCHEMBL8510789 0.83 GRM2 (0.41) IRAK4GRM2
SCHEMBL8509769 0.82 GRM2 (0.41) JAK2GRM2JAK1
SCHEMBL8510125 0.80 GRM2 (0.48) GRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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 (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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 JAK3 1993/4885JAK2 974/4885IRAK4 854/4885

“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.