SCHEMBL6838640

SCHEMBL6838640

Fc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3cccs3)n(CCN3CCNCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.34
S1PR2 O95136 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
NR2F2 P24468 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PBK Q96KB5 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
NLRP3 Q96P20 1/20 0.33
TDO2 P48775 1/20 0.33
TP53 P04637 1/20 0.33
ADRB1 P08588 1/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL6837935 0.91 HTR6 (0.36) KCNH2SLC6A2SLC6A4HTR6POLB
SCHEMBL6838565 0.91 HTR6 (0.42) KCNH2HTR6NPSR1PBKNLRP3
SCHEMBL6838733 0.87 CCR3 (0.33) HTR6S1PR2GAAXBP1NR2F2
SCHEMBL6833702 0.86 SLC6A2 (0.39) KCNH2SLC6A2SLC6A4HTR6SLC6A3
SCHEMBL6837688 0.85 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4HTR6SLC6A3
SCHEMBL6838102 0.83 SLC6A2 (0.37) KCNH2SLC6A2SLC6A4SLC6A3POLB
SCHEMBL6838564 0.83 KCNH2 (0.37) KCNH2SLC6A2SLC6A4HTR6SLC6A3
SCHEMBL6838712 0.82 HTR6 (0.37) KCNH2HTR6GAAPBKTP53
SCHEMBL6838725 0.82 SLC6A2 (0.37) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6840144 0.81 SLC6A2 (0.37) KCNH2SLC6A2SLC6A4HTR6SLC6A3

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 KCNH2 383/4885SLC6A2 4336/4885SLC6A4 3973/4885

“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.