SCHEMBL2386545

SCHEMBL2386545

Fc1cccc(Cl)c1-c1nc2ccnc(Nc3cnc(N4CCOCC4)cn3)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.50
JAK2 O60674 7/20 0.50
ABL1 P00519 1/20 0.39
CNR2 P34972 4/20 0.39
PTPN11 Q06124 2/20 0.37
PTGES O14684 1/20 0.36
MAPK14 Q16539 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
NPC1 O15118 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
SCHEMBL2382606 0.94 JAK2 (0.56) TYK2JAK2ABL1CNR2
SCHEMBL2383213 0.88 TYK2 (0.49) TYK2JAK2ABL1AURKAAURKB
SCHEMBL2385329 0.87 TYK2 (0.67) TYK2JAK2ABL1NPC1RAB9A
SCHEMBL2372671 0.87 JAK2 (0.54) TYK2JAK2ABL1PTPN11PTGES
SCHEMBL2382589 0.86 JAK2 (0.52) TYK2JAK2PTGESMAPK14AURKA
SCHEMBL2384311 0.85 TYK2 (0.51) TYK2JAK2ABL1AURKAAURKB
SCHEMBL2371567 0.83 JAK2 (0.46) TYK2JAK2ABL1PTPN11
SCHEMBL2371819 0.83 JAK2 (0.43) TYK2JAK2PTGES
SCHEMBL2384185 0.83 LMNA (0.49) TYK2JAK2ABL1PTGES
SCHEMBL2381844 0.81 TYK2 (0.51) TYK2JAK2ABL1CNR2AURKA

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 TYK2 1/4885JAK2 6/4885ABL1 152/4885

“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.