SCHEMBL2117784

SCHEMBL2117784

O=P(O)(O)c1ccc2cc(-c3cc[nH]c3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
PIM1 P11309 2/20 0.32
GPR84 Q9NQS5 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MCL1 Q07820 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALPL P05186 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TACR3 P29371 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ACMSD Q8TDX5 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2117641 0.84 KDM4E (0.37) IDO1KDM4EGAAMAPTALDH1A1
SCHEMBL2117646 0.83 PPARG (0.32) IDO1TACR3
SCHEMBL2116835 0.83 PIM1 (0.34) PIM1GPR84HDAC8HDAC6MCL1
SCHEMBL2117676 0.82 HSD17B1 (0.43) MCL1KDM4EMAPTALDH1A1MEN1
SCHEMBL2116613 0.82 ACP3 (0.30) IDO1PIM1HDAC8HDAC6
SCHEMBL13689578 0.81 PIM1 (0.38) IDO1PIM1MAPTALDH1A1MEN1
SCHEMBL2120112 0.80 NPC1 (0.38) PIM1KDM4EMAPTALDH1A1MEN1
SCHEMBL2116847 0.80 KDM4E (0.34) PIM1GPR84HDAC8HDAC6MCL1
SCHEMBL2117329 0.79 CYP1A2 (0.40) GPR84HDAC8MAPTALDH1A1MEN1
SCHEMBL2116012 0.78 PIM1 (0.39) PIM1KDM4EGAAMAPTALDH1A1

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 7 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

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 IDO1 3693/4885PIM1 2265/4885GPR84 3843/4885

“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.