SCHEMBL2383038

SCHEMBL2383038

Clc1cccc(Cl)c1-c1nc2c(Nc3ncnc4[nH]ncc34)ncnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.50
MAPK1 P28482 3/20 0.49
JAK2 O60674 7/20 0.47
TYK2 P29597 7/20 0.47
HTT P42858 1/20 0.46
TTBK1 Q5TCY1 1/20 0.46
PTK2 Q05397 1/20 0.45
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
PDPK1 O15530 2/20 0.42
TNNI3K Q59H18 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2371464 0.82 TTBK1 (0.56) JAK2TYK2TTBK1
SCHEMBL2372085 0.80 JAK2 (0.50) JAK2TYK2
SCHEMBL2372221 0.76 JAK2 (0.56) JAK2TYK2HTTCDK2CDK9
SCHEMBL2371303 0.76 TYK2 (0.76) JAK2TYK2CDK2CDK9
SCHEMBL2372650 0.76 JAK2 (0.51) MKNK1JAK2TYK2CDK2CDK9
SCHEMBL2372770 0.75 JAK2 (0.73) JAK2TYK2CDK2CDK9
SCHEMBL2372118 0.74 JAK2 (0.57) JAK2TYK2
SCHEMBL2372399 0.74 JAK2 (0.60) JAK2TYK2CDK2CDK9
SCHEMBL2371989 0.74 JAK2 (0.49) JAK2TYK2
SCHEMBL12296301 0.74 JAK2 (0.62) JAK2TYK2CDK2CDK9

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 MKNK1 756/4885MAPK1 444/4885JAK2 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.