SCHEMBL3476240

SCHEMBL3476240

CC(C)(C)Cn1nnc2c(Br)c(-c3ccc(C#N)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.39
CYP11B2 P19099 4/20 0.38
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP19A1 P11511 2/20 0.31
NOTUM Q6P988 1/20 0.30
SLC22A12 Q96S37 2/20 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
SCHEMBL3475357 0.86 GRM2 (0.43) GRM2NOTUMSLC22A12
SCHEMBL3475398 0.85 GRM2 (0.33) GRM2CYP11B2
SCHEMBL3476696 0.84 GRM2 (0.37) GRM2
SCHEMBL7819300 0.84 GRM2 (0.39) GRM2KDM4E
SCHEMBL3474766 0.84 GRM2 (0.39) GRM2
SCHEMBL3475412 0.83 GRM2 (0.33) GRM2
SCHEMBL3475411 0.80 GRM2 (0.42) GRM2
SCHEMBL3475397 0.79 GRM2 (0.36) GRM2
SCHEMBL3476138 0.79 GRM2 (0.38) GRM2SLC22A12
SCHEMBL7810660 0.78 GRM2 (0.39) GRM2KDM4E

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
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO claimed
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
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO 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 1/4885CYP11B2 581/4885KIF11 3967/4885

“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.