SCHEMBL4593787

SCHEMBL4593787

CCOC(=O)c1oc2ccc(C)cc2c1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
AHR P35869 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HIF1A Q16665 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
KCNH2 Q12809 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
PLK1 P53350 1/20 0.49
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARG Q86W56 2/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL19661983 0.88 KCNH2 (0.66) KDM4EAHRALDH1A1HIF1ANPC1
SCHEMBL2493208 0.86 KDM4E (0.67) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL1854495 0.86 KDM4E (0.73) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL13102768 0.86 KDM4E (0.67) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL13946929 0.85 KDM4E (0.65) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL10897719 0.84 PTGS2 (0.59) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL20893393 0.83 PLK1 (0.56) KDM4EAHRALDH1A1HIF1ANPC1
SCHEMBL23610617 0.83 KDM4E (0.70) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL4593638 0.83 KDM4E (0.62) KDM4EAHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL585270 0.82 KDM4E (1.00) KDM4EAHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 KDM4E 1688/4885AHR 142/4885SMN1; SMN2 4381/4885

“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.