SCHEMBL12295103

SCHEMBL12295103

CN(C)c1nccc(Nc2nccc3nc(-c4ccccc4Cl)[nH]c23)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.43
JAK2 O60674 6/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PTGES O14684 8/20 0.40
GUSB P08236 1/20 0.38
KDR P35968 1/20 0.37
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL12295212 0.89 TYK2 (0.58) TYK2JAK2KDM4ENPC1ALDH1A1
SCHEMBL12295203 0.88 TYK2 (0.56) TYK2JAK2GUSBKDR
SCHEMBL2372657 0.83 NPC1 (0.45) TYK2JAK2KDM4ENPC1ALDH1A1
SCHEMBL2371815 0.82 TYK2 (0.53) TYK2JAK2KDM4ENPC1ALDH1A1
SCHEMBL2371373 0.80 KDM4E (0.42) TYK2JAK2KDM4ENPC1ALDH1A1
SCHEMBL2372988 0.80 TYK2 (0.62) TYK2JAK2KDM4ENPC1ALDH1A1
SCHEMBL2372476 0.80 TYK2 (0.55) TYK2JAK2KDM4ENPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL2372304 0.79 KDM4E (0.43) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL12296273 0.77 TYK2 (0.72) TYK2JAK2KDR
SCHEMBL2382139 0.77 ABL1 (0.47) TYK2JAK2ALDH1A1

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 4 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
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 6/4885KDM4E 1375/4885

“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.