SCHEMBL2371945

SCHEMBL2371945

CC(=O)c1cc(Nc2ncnc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.44
JAK2 O60674 10/20 0.41
TYK2 P29597 10/20 0.41
TOP2A P11388 1/20 0.38
JAK1 P23458 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGES O14684 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL2373122 0.91 GSK3B (0.47) GSK3BJAK2TYK2TOP2AKDR
SCHEMBL2372738 0.90 ALDH1A1 (0.43) GSK3BJAK2TYK2TOP2ANPC1
SCHEMBL2371592 0.83 JAK2 (0.52) GSK3BJAK2TYK2NPC1TP53
SCHEMBL2372340 0.82 GSK3B (0.44) GSK3BJAK2TYK2NPC1TP53
SCHEMBL2372411 0.79 GSK3B (0.53) GSK3BJAK2TYK2PTGES
SCHEMBL2372125 0.77 JAK2 (0.46) GSK3BJAK2TYK2TOP2A
SCHEMBL2371374 0.77 JAK2 (0.48) GSK3BJAK2TYK2
SCHEMBL2371321 0.77 JAK2 (0.48) GSK3BJAK2TYK2
SCHEMBL2372885 0.77 TYK2 (0.48) GSK3BJAK2TYK2
SCHEMBL2371633 0.77 JAK2 (0.47) GSK3BJAK2TYK2PTGES

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 332/4885JAK2 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.