SCHEMBL214059

SCHEMBL214059

CN1CCN(CCCOc2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
XDH P47989 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
SCHEMBL216071 0.94 KDM4E (0.54) HRH3DRD3KDM4EALDH1A1MEN1
SCHEMBL2890946 0.90 HRH3 (0.61) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL16423999 0.89 HRH3 (0.60) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL214731 0.86 KDM4E (0.51) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3647469 0.86 SIRT6 (0.51) HRH3DRD3KDM4EALDH1A1MEN1
SCHEMBL14419357 0.84 KDM4E (0.70) HRH3DRD3KDM4EALDH1A1MEN1
SCHEMBL22348748 0.84 LTA4H (0.62) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL2735456 0.82 KDM4E (0.63) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7246779 0.82 HTR5A (0.57) DRD3MEN1KMT2ATDP1HRH1
SCHEMBL2209146 0.82 SIRT6 (0.57) HRH3DRD3KDM4EALDH1A1MEN1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
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

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 HRH3 1553/4885DRD3 4551/4885KDM4E 952/4885

“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.