SCHEMBL5776461

SCHEMBL5776461

Nc1nccc(C2CCCCCCC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.42
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
CAMKK2 Q96RR4 1/20 0.37
FEN1 P39748 5/20 0.36
NOS1 P29475 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
PRKCA P17252 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
CYP11B2 P19099 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALOX5AP P20292 2/20 0.34
ADK P55263 1/20 0.34
CYP17A1 P05093 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
SCHEMBL5775480 1.00 TDO2 (0.42) TDO2NOS3NOS2CAMKK2FEN1
SCHEMBL5776718 1.00 TDO2 (0.42) TDO2NOS3NOS2CAMKK2FEN1
SCHEMBL29526095 0.90 NOS3 (0.45) TDO2NOS3NOS2CAMKK2FEN1
SCHEMBL928999 0.90 NOS3 (0.45) TDO2NOS3NOS2CAMKK2FEN1
SCHEMBL551586 0.84 SLC18A3 (0.46) JAK2JAK1HTR2AHTR2CHTR2B
SCHEMBL23928381 0.81 FEN1 (0.43) TDO2FEN1ALOX5AP
SCHEMBL2244757 0.81 TLR9 (0.43) NOS3NOS2HTR2C
SCHEMBL30873830 0.81 NOS3 (0.38) NOS3NOS2
SCHEMBL30769910 0.81 TLR9 (0.43) NOS3NOS2HTR2C
SCHEMBL28284231 0.81 TDO2 (0.40) TDO2NOS3NOS2CAMKK2FEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098220-B2 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-08-29 US disclosed
EP-1558612-B1 IMIDAZOPYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-08-23 EP disclosed
US-20060069117-A1 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-03-30 US disclosed
EP-1558612-A1 IMIDAZOPYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-08-03 EP disclosed
WO-2004043957-A1 IMIDAZOPYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 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-20060069117-A1 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same PRKAA1, PRKAB1, PRKAB2 TDO2 4014/4885NOS3 735/4885NOS2 554/4885

“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.