SCHEMBL2371791

SCHEMBL2371791

CN1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cc(C#N)cc5Cl)[nH]c34)ncn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.55
TYK2 P29597 14/20 0.55
JAK1 P23458 1/20 0.53
CDK2 P24941 1/20 0.53
CDK9 P50750 1/20 0.53
JAK3 P52333 1/20 0.53
KDR P35968 1/20 0.42
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 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
SCHEMBL12295363 0.92 JAK2 (0.59) JAK2TYK2JAK1CDK2CDK9
SCHEMBL14869274 0.90 TYK2 (0.51) JAK2TYK2JAK1CDK2CDK9
SCHEMBL2382209 0.90 JAK2 (0.61) JAK2TYK2JAK1CDK2CDK9
SCHEMBL2371499 0.90 TYK2 (0.62) JAK2TYK2JAK1CDK2CDK9
SCHEMBL14858651 0.88 TYK2 (0.62) JAK2TYK2JAK1CDK2CDK9
SCHEMBL2371575 0.87 TYK2 (0.47) JAK2TYK2JAK1CDK2CDK9
SCHEMBL14858475 0.85 TYK2 (0.56) JAK2TYK2JAK1CDK2CDK9
SCHEMBL2371870 0.84 TYK2 (0.56) JAK2TYK2KDRHRH4CYP1A2
SCHEMBL2372867 0.84 TYK2 (0.73) JAK2TYK2JAK1CDK2CDK9
SCHEMBL2371416 0.83 TYK2 (0.60) JAK2TYK2JAK1CDK2CDK9

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 JAK2 6/4885TYK2 1/4885JAK1 7/4885

“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.