SCHEMBL9895899

SCHEMBL9895899

FC(F)(F)C1CCN(Cc2cccnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.42
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CYP3A4 P08684 1/20 0.32
CHRM4 P08173 1/20 0.31
KEAP1 Q14145 3/20 0.31
NFE2L2 Q16236 3/20 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
SCHEMBL9897069 0.90 GRM2 (0.42) GRM2KEAP1NFE2L2
SCHEMBL9895169 0.90 GRM2 (0.43) GRM2CHRM4KEAP1NFE2L2
SCHEMBL9895323 0.90 GRM2 (0.43) GRM2
SCHEMBL9897544 0.89 GRM2 (0.44) GRM2KEAP1NFE2L2
SCHEMBL9897691 0.89 GRM2 (0.42) GRM2
SCHEMBL9895672 0.89 GRM2 (0.43) GRM2
SCHEMBL9895971 0.88 GRM2 (0.41) GRM2JAK2JAK1KEAP1NFE2L2
SCHEMBL9897925 0.88 GRM2 (0.43) GRM2KEAP1NFE2L2
SCHEMBL9898428 0.87 GRM2 (0.42) GRM2
SCHEMBL9897470 0.87 GRM2 (0.42) GRM2KEAP1NFE2L2

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 1/4885JAK2 974/4885JAK1 2403/4885

“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.