SCHEMBL214604

SCHEMBL214604

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 6/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
EPHX2 P34913 5/20 0.47
GPR4 P46093 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
DRD3 P35462 1/20 0.44
MAPK1 P28482 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
SCHEMBL216291 0.86 EPHX2 (0.52) KDM4EALDH1A1EPHX2GPR4DRD3
SCHEMBL16570456 0.85 HRH2 (0.64) KDM4EKMT2AALDH1A1HRH2HRH1
SCHEMBL3314377 0.85 DRD3 (0.52) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL216071 0.83 KDM4E (0.54) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL216209 0.82 CHEK2 (0.49) ALDH1A1MAPTLMNA
SCHEMBL2735430 0.81 KDM4E (0.53) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL22609266 0.81 HRH2 (0.58) KDM4EKMT2AALDH1A1HRH2HRH1
SCHEMBL14453658 0.81 DRD3 (0.54) ALDH1A1HRH2HRH1EPHX2GPR4
SCHEMBL22348748 0.80 LTA4H (0.62) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL214731 0.80 KDM4E (0.51) KDM4EMEN1KMT2AHTTALDH1A1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM4E 952/4885MEN1 3504/4885KMT2A 437/4885

“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.