SCHEMBL6837682

SCHEMBL6837682

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3ccccc3)n(CCC3CNCCO3)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A2 P23975 13/20 0.35
SLC6A4 P31645 12/20 0.35
SLC6A3 Q01959 7/20 0.35
HRH1 P35367 3/20 0.34
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP3A4 P08684 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL6837740 0.92 SLC6A2 (0.42) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6837755 0.91 SLC6A2 (0.38) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6837812 0.91 EGFR (0.39) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6838548 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HRH1CYP2D6
SCHEMBL6838398 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HRH1CYP2D6
SCHEMBL6838104 0.88 MAPT (0.34) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6840135 0.86 JAK1 (0.31) SLC6A2SLC6A4
SCHEMBL6833817 0.86 KHK (0.38) HRH1NLRP3
SCHEMBL6838676 0.86 JAK1 (0.31)
SCHEMBL6838205 0.85 SSTR4 (0.40) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3

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 GRIN1 166/4885GRIN2B 441/4885SLC6A2 4336/4885

“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.