SCHEMBL4160886

SCHEMBL4160886

O=c1[nH]cc(-c2ccco2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.45
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
KMT2A Q03164 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
SRC P12931 2/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
CFTR P13569 1/20 0.39
IDO1 P14902 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
DBH P09172 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL4171397 0.84 ALDH1A1 (0.50) ADORA2AADORA1KMT2AADORA2BLMNA
SCHEMBL4165444 0.83 ALDH1A1 (0.51) ADORA2AADORA1KMT2AADORA2BLMNA
SCHEMBL4160559 0.81 ALDH1A1 (0.46) ADORA2AADORA1KMT2AADORA3ADORA2B
SCHEMBL4171464 0.78 ALDH1A1 (0.43) ADORA2AADORA1KMT2AADORA2BIDO1
SCHEMBL4168879 0.77 P2RX4 (0.45) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL4171496 0.75 P2RX4 (0.50) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL28676104 0.75 P2RX4 (0.50) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL4162501 0.73 KDM4E (0.46) ADORA2AADORA1KMT2AADORA3ADORA2B
SCHEMBL13813021 0.73 P2RX4 (0.41) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL28374611 0.70 STK4 (0.36) ADORA1KMT2AADORA3LMNAMEN1

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 7 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 claimed
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 WO claimed
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
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
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 P2RX4 865/4885ADORA2A 1434/4885ADORA1 986/4885

“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.