SCHEMBL6833822

SCHEMBL6833822

Cc1cccc2c1nc(C(F)(F)F)c1nc(C3CCCCC3)n(CCN3CCNCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP14 Q460N5 8/20 0.34
TLR7 Q9NYK1 5/20 0.34
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPY1R P25929 1/20 0.31
NCF1 P14598 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
SCHEMBL6840017 0.99 PARP1 (0.39) PARP1PARP2PARP14TLR7ADORA3
SCHEMBL7488417 0.88 NPY1R (0.36) PARP1PARP2PARP14TLR7ADORA3
SCHEMBL6838070 0.87 NPY1R (0.37) PARP1PARP2PARP14TLR7ADORA3
SCHEMBL6839979 0.83 ADRB2 (0.35) TLR7ADORA3KDM4EALDH1A1HSD17B10
SCHEMBL6840155 0.83 SSTR4 (0.38) PARP14TLR7ADORA3
SCHEMBL6840039 0.82 ADRB2 (0.36) TLR7ADORA3KDM4EALDH1A1
SCHEMBL6838736 0.82 SSTR4 (0.38) PARP14ADORA3
SCHEMBL6833824 0.81 KDM4E (0.38) PARP1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6833699 0.80 ACHE (0.37) ADORA3
SCHEMBL6837640 0.80 ADORA3 (0.38) TLR7ADORA3NCF1

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 PARP1 2570/4885PARP2 4197/4885PARP14 3713/4885

“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.