SCHEMBL6833816

SCHEMBL6833816

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(C3CCCCC3)n(CCC3CCNCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
ARF6 P62330 1/20 0.33
TRIM58 Q8NG06 1/20 0.33
ALOX5AP P20292 2/20 0.33
TLR7 Q9NYK1 3/20 0.33
KHK P50053 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
HTR2C P28335 1/20 0.32
AXL P30530 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SOS1 Q07889 1/20 0.32
METAP2 P50579 1/20 0.32
NPC1 O15118 1/20 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
SCHEMBL6840005 0.99 ADORA3 (0.35) ADORA3ARF6TRIM58ALOX5APTLR7
SCHEMBL6833984 0.90 ADORA3 (0.37) ADORA3TRIM58TLR7HTR2CHRH1
SCHEMBL6837685 0.89 ADORA3 (0.40) ADORA3ARF6TRIM58NOS1NOS2
SCHEMBL6838083 0.89 ADORA3 (0.36) ADORA3TRIM58HRH1NOS1NOS2
SCHEMBL6839979 0.89 ADRB2 (0.35) ADORA3ARF6ALOX5APTLR7ADRB2
SCHEMBL6838584 0.88 ADORA3 (0.39) ADORA3ARF6NOS1NOS2SOS1
SCHEMBL6840039 0.88 ADRB2 (0.36) ADORA3ARF6ALOX5APTLR7ADRB2
SCHEMBL6833712 0.87 ADORA3 (0.46) ADORA3TLR7HRH1RXRARXRB
SCHEMBL6837680 0.87 ADORA3 (0.34) ADORA3ARF6ALOX5APTLR7HRH1
SCHEMBL6838758 0.86 ADORA3 (0.45) ADORA3TLR7ADRB2HRH1RXRA

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 ADORA3 3201/4885ARF6 2504/4885TRIM58 3947/4885

“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.