SCHEMBL9604223

SCHEMBL9604223

CC(C)(C)Cn1nnc2c(Br)c(OCc3cccc(-c4ccnc(C#N)c4)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.36
PRKDC P78527 1/20 0.33
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
F2 P00734 1/20 0.32
CTSS P25774 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL8512575 0.87 CTSS (0.42) GRM2PRKDCCTSS
SCHEMBL8510782 0.87 GRM2 (0.37) GRM2F2MRGPRX4
SCHEMBL8511759 0.87 GRM2 (0.37) GRM2F2CTSSNPC1MAPT
SCHEMBL8510239 0.85 F2RL3 (0.39) GRM2PDCD1CD274CTSS
SCHEMBL8511915 0.85 F2RL3 (0.39) GRM2CTSSMAPT
SCHEMBL8512353 0.84 GRM2 (0.38) GRM2F2MRGPRX4
SCHEMBL9604222 0.84 GRM2 (0.42) GRM2F2MAPTMRGPRX4
SCHEMBL8510140 0.82 GRM2 (0.37) GRM2CTSSMRGPRX4
SCHEMBL8511776 0.82 GRM2 (0.33) GRM2CTSSMRGPRX4
SCHEMBL8510325 0.80 GRM2 (0.35) GRM2MRGPRX4

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-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 GRM2 1/4885PRKDC 4385/4885PDCD1 3788/4885

“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.