SCHEMBL14629892

SCHEMBL14629892

Cc1cnc(C(N)=O)c2nc(-c3c(Cl)cccc3Cl)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.41
JAK2 O60674 6/20 0.39
TYK2 P29597 4/20 0.39
PARP1 P09874 2/20 0.39
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.37
DGAT1 O75907 1/20 0.36
GUSB P08236 1/20 0.36
CYP2D6 P10635 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 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
SCHEMBL14629901 0.89 PARP1 (0.41) PTGESJAK2TYK2PARP1GUSB
SCHEMBL14629888 0.85 PTGES (0.41) PTGESJAK2TYK2PARP1GUSB
SCHEMBL14629882 0.81 PTGES (0.53) PTGESJAK2CYP2C9CYP2D6
SCHEMBL14629895 0.81 PTGES (0.43) PTGESJAK2TYK2CYP2C9GUSB
SCHEMBL14629872 0.76 JAK2 (0.58) JAK2TYK2PARP1
SCHEMBL2385013 0.75 TYK2 (0.66) JAK2TYK2
SCHEMBL2382309 0.68 TYK2 (0.54) PTGESJAK2TYK2GAA
SCHEMBL2382823 0.68 JAK2 (0.61) JAK2TYK2
SCHEMBL14629904 0.68 PTGES (0.45) PTGESJAK2TYK2GUSB
SCHEMBL14629871 0.67 PTGES (0.47) PTGESJAK2TYK2CYP2C9CYP2D6

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 2 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
EP-2547338-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-23 EP 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 PTGES 1438/4885JAK2 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.