SCHEMBL319483

SCHEMBL319483

CC1OC(c2ccncc2[N+](=O)[O-])CC(O)C1(C)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.32
PIM2 Q9P1W9 2/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
HTT P42858 3/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.30
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10278816 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1PIM2PIM1
SCHEMBL14902742 0.90 MEN1 (0.35) MEN1KMT2AALDH1A1PIM2PIM1
SCHEMBL1910590 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL319630 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1PIM2PIM1
SCHEMBL325619 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1911108 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1PIM2PIM1
SCHEMBL1911089 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1PIM2PIM1
SCHEMBL318488 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL1910822 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL14902696 0.81 MEN1 (0.30) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B MEN1 2862/4885KMT2A 691/4885ALDH1A1 2437/4885

“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.