SCHEMBL2117676

SCHEMBL2117676

O=P(O)(O)c1ccc2cc(-c3cccc(O)c3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.43
HSD17B2 P37059 6/20 0.43
PIK3CA P42336 1/20 0.39
CYP1A2 P05177 4/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2117329 0.85 CYP1A2 (0.40) HSD17B1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2116385 0.84 FDPS (0.38) HSD17B1HSD17B2PIK3CACYP1A2ESR1
SCHEMBL2116847 0.84 KDM4E (0.34) CYP1A2CYP2C19ALDH1A1MAPTHPGD
SCHEMBL2116390 0.83 PIK3CA (0.35) HSD17B1HSD17B2PIK3CACYP1A2ESR1
SCHEMBL2116012 0.80 PIM1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2116835 0.80 PIM1 (0.34) ALDH1A1MAPTHPGDMCL1ACMSD
SCHEMBL2122445 0.80 ACP3 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL2116297 0.80 GPR84 (0.35) ALDH1A1MAPTMCL1ACMSDKDM4E
SCHEMBL2116619 0.80 FDPS (0.36) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL2143529 0.80 MAOA (0.40) CYP1A2ALDH1A1MAPTHPGDNPC1

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
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
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 HSD17B1 504/4885HSD17B2 1038/4885PIK3CA 281/4885

“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.