SCHEMBL2371729

SCHEMBL2371729

CNC(=O)Nc1nccc2nc(-c3ccccc3Cl)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GUSB P08236 1/20 0.41
PTGES O14684 4/20 0.41
SLC9A1 P19634 1/20 0.38
PARP1 P09874 1/20 0.37
NPBWR1 P48145 1/20 0.37
ABL1 P00519 2/20 0.36
KDR P35968 1/20 0.36
ACP1 P24666 1/20 0.36
TYK2 P29597 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL2372299 0.88 KDM4E (0.44) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2372564 0.87 TYK2 (0.47) GUSBTYK2
SCHEMBL2372322 0.83 JAK2 (0.53) ABL1TYK2
SCHEMBL2372094 0.83 TYK2 (0.47) PTGESTYK2
SCHEMBL2371408 0.76 TYK2 (0.45) GUSBTYK2
SCHEMBL2372657 0.75 NPC1 (0.45) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2372213 0.75 TYK2 (0.49) GUSBPTGESTYK2
SCHEMBL2372972 0.74 TYK2 (0.59) GUSBTYK2
SCHEMBL12295103 0.73 TYK2 (0.43) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2373068 0.73 TYK2 (0.49) KDM4EGUSBTYK2

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 KDM4E 1375/4885NPC1 4716/4885ALDH1A1 4161/4885

“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.