SCHEMBL3077074

SCHEMBL3077074

OCc1nc2ccccn2c1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
RAD51 Q06609 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IDO1 P14902 2/20 0.41
USP7 Q93009 4/20 0.40
TSHR P16473 1/20 0.39
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL3081742 0.84 USP7 (0.46) ALDH1A1HSD17B10KDM4EGAARAD51
SCHEMBL14411866 0.83 MAPK1 (0.47) MAPK1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL11026812 0.78 USP7 (0.60) MAPK1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL3084024 0.76 USP7 (0.47) ALDH1A1KDM4EGAAUSP7NPC1
SCHEMBL3070139 0.75 KDM4E (0.47) MAPK1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL1730262 0.74 MARK4 (0.52) MAPK1KDM4EGAARAD51MKNK1
SCHEMBL3077086 0.74 CNR2 (0.44) KDM4EUSP7
SCHEMBL22615013 0.73 NR1I3 (0.52) MAPK1KDM4EGAANPC1
SCHEMBL3072062 0.73 PTGS1 (0.56) MAPK1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL17331734 0.72 GAA (0.44) MAPK1ALDH1A1GAARAD51MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 WO 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 MAPK1 2628/4885ALDH1A1 210/4885HSD17B10 303/4885

“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.