SCHEMBL4758723

SCHEMBL4758723

Cc1c(C(N)=O)nc2cccc(-n3ccnn3)c2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PKM P14618 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KAT2B Q92831 1/20 0.34
DHODH Q02127 2/20 0.33
WEE1 P30291 1/20 0.33
PKMYT1 Q99640 1/20 0.33

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
SCHEMBL27418770 0.77 DHODH (0.40) DHODH
SCHEMBL4758636 0.77 HCRTR1 (0.38) HCRTR1HCRTR2KDM4ELMNAADORA3
SCHEMBL26606766 0.76 DHODH (0.40) KDM4EDHODHWEE1PKMYT1
SCHEMBL27792783 0.76 HCRTR1 (0.38) HCRTR1HCRTR2DHODH
SCHEMBL6429867 0.75 MAPK9 (0.41) HCRTR1HCRTR2DHODH
SCHEMBL4758634 0.75 HCRTR1 (0.38) HCRTR1HCRTR2KDM4ELMNAADORA3
SCHEMBL979253 0.74 MAPK9 (0.38) ADORA2A
SCHEMBL26606784 0.73 CDK9 (0.47) KDM4E
SCHEMBL17910087 0.71 HCRTR1 (0.43) HCRTR1HCRTR2KDM4E
SCHEMBL23211975 0.70 TSHR (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B HCRTR1 1252/4885HCRTR2 1239/4885KDM4E 830/4885

“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.