SCHEMBL4593638

SCHEMBL4593638

CCOC(=O)c1oc2ccc(C(F)(F)F)cc2c1N

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
AHR P35869 1/20 0.62
HIF1A Q16665 10/20 0.60
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PLK1 P53350 1/20 0.44
PARG Q86W56 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22392263 0.90 KDM4E (0.62) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL20893357 0.90 HIF1A (0.71) KDM4EAHRHIF1APARG
SCHEMBL15714217 0.86 HIF1A (0.58) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL17179762 0.86 KDM4E (0.65) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL2493208 0.83 KDM4E (0.67) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL4593787 0.83 KDM4E (0.70) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL4654283 0.82 HIF1A (0.59) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL1854495 0.81 KDM4E (0.73) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL13102768 0.81 KDM4E (0.67) KDM4EAHRHIF1AALDH1A1HPGD
SCHEMBL15714261 0.80 PIM1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2TP53

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 5 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
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 142/4885HIF1A 541/4885

“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.