SCHEMBL2372379

SCHEMBL2372379

Cc1cnc(Nc2ncnc3nc(-c4c(F)cccc4Cl)[nH]c23)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.42
JAK2 O60674 4/20 0.42
TYK2 P29597 3/20 0.41
GSK3B P49841 3/20 0.40
GCK P35557 1/20 0.38
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 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
SCHEMBL2372437 0.93 JAK2 (0.47) JAK2TYK2GSK3B
SCHEMBL2372204 0.87 JAK2 (0.56) PTGESJAK2TYK2GSK3BCYP2C9
SCHEMBL2372752 0.85 CHEK1 (0.44) PTGESJAK2TYK2GSK3B
SCHEMBL2371762 0.85 PTGES (0.42) PTGESJAK2TYK2GSK3BGCK
SCHEMBL2371819 0.84 JAK2 (0.43) PTGESJAK2TYK2
SCHEMBL2371849 0.82 PTGES (0.46) PTGESJAK2TYK2GSK3B
SCHEMBL2370265 0.82 PTGES (0.43) PTGESJAK2TYK2GSK3B
SCHEMBL2372347 0.82 JAK2 (0.54) PTGESJAK2TYK2GSK3B
SCHEMBL2371755 0.81 PTGES (0.42) PTGESJAK2TYK2GSK3B
SCHEMBL2372329 0.80 JAK2 (0.58) PTGESJAK2TYK2GSK3BCYP2C9

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 PTGES 1438/4885JAK2 6/4885TYK2 1/4885

“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.