SCHEMBL2179271

SCHEMBL2179271

COc1ccc(/C=N/N(C)c2cc(=O)n(C)c(=O)[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.75
KDM4C Q9H3R0 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
THRB P10828 2/20 0.55
NR1I2 O75469 1/20 0.54
AHR P35869 1/20 0.54
PKM P14618 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL2179274 1.00 KDM4E (0.75) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2181480 0.85 KDM4E (0.67) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2181477 0.85 KDM4E (0.67) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2179941 0.85 KDM4E (0.67) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2179940 0.85 KDM4E (0.67) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2182121 0.84 KDM4E (0.61) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2182123 0.84 KDM4E (0.61) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL3473755 0.82 KDM4E (0.55) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2182930 0.82 ALDH1A1 (0.59) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD
SCHEMBL2182936 0.82 ALDH1A1 (0.59) KDM4EKDM4CSMN1; SMN2ALDH1A1HPGD

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR KDM4E 4180/4885KDM4C 3280/4885SMN1; SMN2 2741/4885

“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.