SCHEMBL6833773

SCHEMBL6833773

FC(F)(F)c1nc2cc(Cl)ccc2c2c1nc(-c1ncc[nH]1)n2CCC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.37
PIM1 P11309 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.33
NR3C1 P04150 1/20 0.33
CNR2 P34972 1/20 0.33
TGFBR1 P36897 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
ACP1 P24666 3/20 0.32
KCNH2 Q12809 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
KCNK13 Q9HB14 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL6838737 0.92 JAK2 (0.32) NPY1RNR3C1JAK2JAK1TYK2
SCHEMBL6838709 0.92 CCR3 (0.33) NPY1RSLC6A4NR3C1JAK2JAK1
SCHEMBL6840099 0.89 NPY1R (0.37) NPY1RCYP1A2SLC6A4NR3C1JAK2
SCHEMBL6833788 0.87 ADRB2 (0.35) CYP1A2CYP2D6KCNH2ADRB2NCF1
SCHEMBL6838090 0.86 EPHA2 (0.34) SLC6A4KCNH2
SCHEMBL7500056 0.85 NPY1R (0.38) NPY1RPIM1CYP1A2CYP2D6SLC6A4
SCHEMBL6837686 0.85 EGFR (0.41) NPY1RPIM1CYP1A2CNR2ACP1
SCHEMBL6834013 0.85 NPY1R (0.36) NPY1RPIM1CYP1A2CYP2D6SLC6A4
SCHEMBL6837773 0.84 NPY1R (0.38) NPY1RPIM1CYP1A2CYP2D6SLC6A4
SCHEMBL6838510 0.82 CASR (0.42) NPY1RPIM1CNR2ACP1EIF4EBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 NPY1R 1070/4885PIM1 261/4885CYP1A2 1226/4885

“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.