SCHEMBL1796358

SCHEMBL1796358

CC(C)(C)OC(=O)Nc1csc(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PSMB8 P28062 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
APLNR P35414 1/20 0.36
PTPRB P23467 2/20 0.36
SREBF2 Q12772 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LCK P06239 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
METAP1 P53582 1/20 0.34

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
SCHEMBL21705628 0.79 LCK (0.41) SMN1; SMN2PSMB8PI4KBSREBF2CA1
SCHEMBL2600848 0.79 PI4KB (0.42) SMN1; SMN2PSMB8PI4KBPTPRBCA1
SCHEMBL28935820 0.78 GSK3B (0.38) PSMB8PI4KBSREBF2CA1CA2
SCHEMBL20557380 0.78 PI4KB (0.39) PSMB8PI4KBSREBF2CA1CA2
SCHEMBL26678642 0.77 PI4KB (0.38) PSMB8PI4KBSREBF2CA1CA2
SCHEMBL24044235 0.75 CDK5 (0.44) ABCB1PI4KBSREBF2CA1CA2
SCHEMBL22031128 0.75 CA1 (0.39) PSMB8PI4KBSREBF2CA1CA2
SCHEMBL22031127 0.75 CDK5 (0.44) PI4KBPTPRBSREBF2CA1CA2
SCHEMBL28935615 0.75 PI4KB (0.37) PSMB8PI4KBSREBF2CA1CA2
SCHEMBL1796424 0.74 PI4KB (0.44) PI4KBPTPRBCA1CA2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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 (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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 ABCB1 474/4885SMN1; SMN2 2680/4885PSMB8 3051/4885
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 ABCB1 2085/4885SMN1; SMN2 2965/4885PSMB8 3185/4885

“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.