SCHEMBL2382840

SCHEMBL2382840

Clc1cccc(Cl)c1-c1nc2ncnc(Nc3ccc(N4CCOCC4)cn3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.49
JAK2 O60674 5/20 0.49
CCNK O75909 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
TBK1 Q9UHD2 1/20 0.41
KCNH2 Q12809 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
CNR2 P34972 1/20 0.39
ABL1 P00519 1/20 0.38
PKMYT1 Q99640 2/20 0.38
PDGFRB P09619 1/20 0.38
SLC2A1 P11166 1/20 0.38
PDGFRA P16234 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38

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
SCHEMBL2384257 0.88 TYK2 (0.42) TYK2JAK2CCNKCCND3CDK9
SCHEMBL2384400 0.86 JAK2 (0.57) TYK2JAK2FGFR1SRCTBK1
SCHEMBL2381844 0.85 TYK2 (0.51) TYK2JAK2CCNKCCND3CDK9
SCHEMBL12295381 0.85 JAK2 (0.53) TYK2JAK2CCNKCCND3CDK9
SCHEMBL2384356 0.82 TYK2 (0.50) TYK2JAK2CCNKCCND3CDK9
SCHEMBL2385575 0.81 JAK2 (0.49) TYK2JAK2SRCABL1
SCHEMBL2383213 0.80 TYK2 (0.49) TYK2JAK2CCNKCCND3CDK9
SCHEMBL2372667 0.79 JAK2 (0.44) TYK2JAK2GSK3B
SCHEMBL2383555 0.79 TYK2 (0.61) TYK2JAK2JAK1JAK3ABL1
SCHEMBL2385204 0.78 JAK2 (0.50) TYK2JAK2KCNH2AURKAGSK3B

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 6/4885CCNK 464/4885

“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.