SCHEMBL2371691

SCHEMBL2371691

CC(C)C(=O)Nc1ncnc2nc(-c3c(Cl)cccc3Cl)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.51
TYK2 P29597 7/20 0.40
JAK2 O60674 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CSF1R P07333 2/20 0.37
DGAT1 O75907 1/20 0.36
EGFR P00533 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
PTGES O14684 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2372411 0.87 GSK3B (0.53) GSK3BTYK2JAK2CSF1RDGAT1
SCHEMBL2373081 0.85 GSK3B (0.52) GSK3BTYK2JAK2CSF1RDGAT1
SCHEMBL2372642 0.84 GSK3B (0.53) GSK3BTYK2JAK2SMN1; SMN2CSF1R
SCHEMBL2372766 0.82 TYK2 (0.47) TYK2JAK2DGAT1NR2E3ALDH1A1
SCHEMBL2371684 0.82 GSK3B (0.74) GSK3BTYK2JAK2
SCHEMBL2371959 0.80 JAK2 (0.46) GSK3BTYK2JAK2CSF1REGFR
SCHEMBL17667950 0.80 FGFR1 (0.52) TYK2JAK2DGAT1NR2E3PTGES
SCHEMBL2371515 0.78 GSK3B (0.48) GSK3BTYK2JAK2PTGES
SCHEMBL12296291 0.78 GSK3B (0.48) GSK3BJAK2PTGES
SCHEMBL2371749 0.75 TYK2 (0.46) GSK3BTYK2JAK2

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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
EP-2547338-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-23 EP disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 GSK3B 332/4885TYK2 1/4885JAK2 6/4885

“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.