SCHEMBL2117716

SCHEMBL2117716

O=C(O)c1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 3/20 0.58
FDPS P14324 1/20 0.53
MGAM O43451 1/20 0.50
MMP2 P08253 3/20 0.49
MEN1 O00255 2/20 0.47
ACMSD Q8TDX5 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.42
WDR5 P61964 1/20 0.42

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
SCHEMBL2119160 0.86 KDM4E (0.54) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL2117610 0.86 KDM4E (0.54) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL13689608 0.86 PIM1 (0.59) KDM4EKMT2AFDPSMEN1ALDH1A1
SCHEMBL2120585 0.85 KDM4E (0.53) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL7036195 0.84 KDM4E (0.62) KDM4EKMT2AMGAMMMP2MEN1
SCHEMBL2118893 0.84 FDPS (0.52) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL2118027 0.84 FDPS (0.57) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL2118134 0.84 FDPS (0.52) KDM4EKMT2AFDPSMGAMMMP2
Lithium SCHEMBL2116737 0.83 FDPS (0.51) KDM4EKMT2AFDPSMGAMMMP2
SCHEMBL2116734 0.83 FDPS (0.51) KDM4EKMT2AFDPSMGAMMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 KDM4E 2805/4885KMT2A 3963/4885FDPS 1/4885

“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.