SCHEMBL6833989

SCHEMBL6833989

Cc1ccc(-c2nc3c(C(F)(F)F)nc4ccccc4c3n2CCC2CCNCC2)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.37
NPY1R P25929 3/20 0.35
TLR7 Q9NYK1 6/20 0.35
KHK P50053 2/20 0.34
SLC6A4 P31645 1/20 0.33
TLR8 Q9NR97 2/20 0.33
MERTK Q12866 1/20 0.33
ACP1 P24666 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRB2 P07550 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
SCHEMBL6925839 0.89 HTR4 (0.39) HTR4NPY1RTLR7KHKSLC6A4
SCHEMBL6840109 0.87 KDM4E (0.38) HTR4NPY1RTLR7ACP1KDM4E
SCHEMBL6923309 0.87 NPY1R (0.40) HTR4NPY1RTLR7KHKSLC6A4
SCHEMBL6833713 0.87 NPY1R (0.39) HTR4NPY1RTLR7SLC6A4MERTK
SCHEMBL6840049 0.85 ALDH1A1 (0.38) HTR4NPY1RKHKSLC6A4MERTK
SCHEMBL6833988 0.84 HTR4 (0.36) HTR4NPY1RTLR7KHKSLC6A4
SCHEMBL6838577 0.83 PDE6D (0.37) HTR4NPY1RTLR7MERTKACP1
SCHEMBL6833751 0.83 ACP1 (0.38) HTR4NPY1RTLR7MERTKACP1
SCHEMBL6840151 0.83 HTR4 (0.41) HTR4NPY1RTLR7KHKSLC6A4
SCHEMBL6838715 0.83 ACP1 (0.37) HTR4NPY1RTLR7KHKSLC6A4

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 HTR4 2764/4885NPY1R 1070/4885TLR7 964/4885

“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.