SCHEMBL2401599

SCHEMBL2401599

CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)F)n3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
SYK P43405 4/20 0.37
SDHB P21912 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL2402091 0.92 JAK2 (0.42) JAK2SYK
SCHEMBL2400010 0.91 SDHB (0.42) JAK2SYKSDHB
SCHEMBL3560250 0.90 KIF18A (0.40) JAK2SYKSDHB
SCHEMBL2401426 0.89 SYK (0.40) JAK2SYKSDHB
SCHEMBL2404270 0.87 SYK (0.43) SYK
SCHEMBL2401682 0.84 TRPV3 (0.34) SYK
SCHEMBL2401508 0.82 JAK2 (0.46) JAK2
SCHEMBL3564234 0.82 KDM4E (0.46) JAK2SYKSDHB
SCHEMBL3559647 0.82 KIF18A (0.42) JAK2SYKSDHB
SCHEMBL2401190 0.81 JAK2 (0.36) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415380-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GATTI MCARTHUR SILVIA 2011-10-27 US disclosed
US-8012986-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2011-09-06 US disclosed
EP-2142527-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-29 EP disclosed
EP-2142527-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMAN-LA ROCHE, INC. 2008-11-13 US disclosed
WO-2008119689-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 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 (2 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-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 JAK2 514/4885SYK 3199/4885SDHB 2071/4885
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 JAK2 514/4885SYK 3199/4885SDHB 2071/4885

“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.