SCHEMBL8225968

SCHEMBL8225968

CCOOCCn1c(=O)[nH]cc(-c2ccco2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.36
ADORA2B P29275 4/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSF1 Q00613 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4174300 0.78 ALDH1A1 (0.47) ADORA2BALDH1A1KDM4EHPGDGAA
SCHEMBL4179886 0.74 TDP1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4171397 0.74 ALDH1A1 (0.50) ADORA2AADORA2BALDH1A1KDM4EHPGD
SCHEMBL4165444 0.71 ALDH1A1 (0.51) ADORA2AADORA2BALDH1A1KDM4EHPGD
SCHEMBL4171464 0.70 ALDH1A1 (0.43) ADORA2AADORA2BALDH1A1KDM4EHPGD
SCHEMBL4160886 0.70 P2RX4 (0.45) ADORA2AADORA2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL28374611 0.69 STK4 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4160559 0.68 ALDH1A1 (0.46) ADORA2AADORA2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL4162501 0.66 KDM4E (0.46) ADORA2AADORA2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL21501924 0.63 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2GAA

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-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 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-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS TK1, LCK, FYN ADORA2A 1434/4885ADORA2B 1455/4885ALDH1A1 1813/4885

“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.