SCHEMBL9895696

SCHEMBL9895696

COc1nccnc1Oc1ccc2c(nnn2CCCC(F)(F)F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
CSNK2A3 Q8NEV1 2/20 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
SCHEMBL9896489 0.90 GRM2 (0.36) GRM2
SCHEMBL8511080 0.87 GRM2 (0.41) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9896376 0.82 GRM2 (0.34) GRM2
SCHEMBL9897929 0.82 GRM2 (0.33) GRM2
SCHEMBL9896777 0.82 GRM2 (0.34) GRM2
SCHEMBL9895205 0.82 ROCK2 (0.39) GRM2
SCHEMBL9895160 0.81 GRM2 (0.37) GRM2
SCHEMBL9895919 0.81 GRM2 (0.36) GRM2
SCHEMBL9895537 0.78 GRM2 (0.35) GRM2
SCHEMBL9895464 0.76 GRM2 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885CSNK2A2 1164/4885CSNK2B 1768/4885

“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.