SCHEMBL2118237

SCHEMBL2118237

O=P(O)(O)CNc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.40
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CMA1 P23946 2/20 0.36
CTSG P08311 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
FDPS P14324 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM6B O15054 1/20 0.34
FTO Q9C0B1 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL2116500 0.87 FDPS (0.35) ACP3CA12CA2MMP2MMP9
SCHEMBL2119256 0.87 ACP3 (0.35) ACP3CA12CA2MMP2MMP9
SCHEMBL2120566 0.83 MAPT (0.40) ACP3MEN1KMT2AMAPT
SCHEMBL2116374 0.82 KDM4E (0.43) FDPSMEN1KMT2AMAPTGAA
SCHEMBL2116381 0.81 PPARG (0.34) FDPSMEN1KMT2AMAPTGAA
SCHEMBL2117440 0.81 PDE10A (0.41) HDAC6PIM1MEN1KMT2AMAPT
SCHEMBL2116709 0.80 HDAC8 (0.39) ACP3CA12CA2MMP2MMP9
SCHEMBL2118355 0.77 PGK1 (0.51) ACP3CA12CA2MMP2MMP9
SCHEMBL2116647 0.75 ACP3 (0.41) ACP3CA12CA2MMP2MMP9
SCHEMBL2122445 0.75 ACP3 (0.39) ACP3CA12CA2MMP2MMP9

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
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 ACP3 556/4885CA12 4845/4885CA2 4371/4885

“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.