SCHEMBL2117680

SCHEMBL2117680

O=C(O)c1ccc2cc(-c3ccc[nH]3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
KMT2A Q03164 2/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LDHA P00338 1/20 0.39
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MGAM O43451 1/20 0.36
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 2/20 0.35
MMP2 P08253 3/20 0.35
SERPINE1 P05121 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL2116835 0.81 PIM1 (0.34) KMT2AMCL1ACMSDMEN1KDM4E
SCHEMBL2117696 0.78 FDPS (0.46) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2118764 0.78 FDPS (0.46) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2117716 0.78 KDM4E (0.58) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2143581 0.78 FDPS (0.44) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2118027 0.77 FDPS (0.57) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2118134 0.77 FDPS (0.52) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2118893 0.77 FDPS (0.52) FDPSKMT2AMCL1ACMSDMEN1
SCHEMBL2119059 0.77 FDPS (0.45) FDPSKMT2AMCL1ACMSDMEN1
Lithium SCHEMBL2119069 0.77 FDPS (0.45) FDPSKMT2AMCL1ACMSDMEN1

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 8 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
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
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 FDPS 1/4885KMT2A 3963/4885MCL1 1336/4885

“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.