SCHEMBL2371373

SCHEMBL2371373

Clc1ccccc1-c1nc2ccnc(Nc3cnccn3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 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
PTGES O14684 6/20 0.40
GUSB P08236 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.39
TYK2 P29597 3/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
NPY5R Q15761 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 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
SCHEMBL2372568 0.87 TYK2 (0.48) GUSBKDRTYK2JAK2JAK1
SCHEMBL2372657 0.87 NPC1 (0.45) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2371815 0.84 TYK2 (0.53) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2371713 0.83 GSK3B (0.46) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2371703 0.83 PTGES (0.43) PTGESTYK2JAK2JAK1
SCHEMBL12295103 0.80 TYK2 (0.43) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2384184 0.80 KDR (0.43) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2372988 0.79 TYK2 (0.62) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL2372476 0.79 TYK2 (0.55) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL12295212 0.76 TYK2 (0.58) KDM4ENPC1ALDH1A1RAB9AGPR55

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.