SCHEMBL2371815

SCHEMBL2371815

Clc1ccccc1-c1nc2ccnc(Nc3ccncn3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.53
JAK2 O60674 7/20 0.53
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KDR P35968 1/20 0.41
PTGES O14684 4/20 0.40
MPL P40238 1/20 0.39
GUSB P08236 1/20 0.39
NPBWR1 P48145 1/20 0.37
JAK1 P23458 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
TGFBR1 P36897 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 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
SCHEMBL2372657 0.87 NPC1 (0.45) TYK2JAK2ALDH1A1KDM4ENPC1
SCHEMBL2371373 0.84 KDM4E (0.42) TYK2JAK2ALDH1A1KDM4ENPC1
SCHEMBL2372476 0.84 TYK2 (0.55) TYK2JAK2ALDH1A1KDM4ENPC1
SCHEMBL2383138 0.83 JAK2 (0.56) TYK2JAK2JAK1CCNA2CDK2
SCHEMBL12295360 0.83 JAK2 (0.60) TYK2JAK2PTGES
SCHEMBL2371779 0.83 JAK2 (0.60) TYK2JAK2KDRPTGESJAK1
SCHEMBL12295103 0.82 TYK2 (0.43) TYK2JAK2ALDH1A1KDM4ENPC1
SCHEMBL2372988 0.79 TYK2 (0.62) TYK2JAK2ALDH1A1KDM4ENPC1
SCHEMBL2384184 0.77 KDR (0.43) JAK2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2382139 0.77 ABL1 (0.47) TYK2JAK2ALDH1A1CCNA2CDK2

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 TYK2 1/4885JAK2 6/4885ALDH1A1 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.