SCHEMBL6838013

SCHEMBL6838013

Cc1cccc2c1nc(C(F)(F)F)c1nc(-c3ccco3)n(CCN3CCNCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.35
ADORA2B P29275 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA3 P0DMS8 4/20 0.33
ALDH1A1 P00352 3/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
NCF1 P14598 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 1/20 0.32
CASR P41180 1/20 0.32
ELANE P08246 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
MDM4 O15151 1/20 0.31
LMNA P02545 1/20 0.31
AHR P35869 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
SCHEMBL6838630 0.87 NPY1R (0.35) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL6833824 0.85 KDM4E (0.38) ALDH1A1PARP1SMN1; SMN2KDM4EMAPK1
SCHEMBL6833709 0.84 HRH1 (0.36) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL6838049 0.83 PARP1 (0.33) ALDH1A1PARP1PARP2NCF1KDM4E
SCHEMBL6837757 0.83 SSTR4 (0.38) ALDH1A1SMN1; SMN2CASR
SCHEMBL6838564 0.82 KCNH2 (0.37) ADORA2AHSD17B10CASR
SCHEMBL6838712 0.82 HTR6 (0.37) ALDH1A1PARP1PARP2SMN1; SMN2NCF1
SCHEMBL6838072 0.82 HRH1 (0.35) ADORA2AADORA2BADORA1ALDH1A1SMN1; SMN2
SCHEMBL6840082 0.81 NCF1 (0.34) ALDH1A1PARP1PARP2NCF1KDM4E
SCHEMBL6833841 0.81 NCF1 (0.34) ALDH1A1PARP1PARP2NCF1KDM4E

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 ADORA2A 2952/4885ADORA2B 3622/4885ADORA1 2265/4885

“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.