SCHEMBL2117118

SCHEMBL2117118

CCOC(=O)c1ccc2cc(I)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
FDPS P14324 1/20 0.48
CYP1A2 P05177 1/20 0.47
CDC25B P30305 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL2116635 0.87 FDPS (0.53) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2117824 0.83 ALDH1A1 (0.48) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2118893 0.82 FDPS (0.52) KMT2AKDM4EFDPSMEN1ALDH1A1
Lithium SCHEMBL2116737 0.81 FDPS (0.51) KMT2AKDM4EFDPSMEN1ALDH1A1
SCHEMBL2116734 0.81 FDPS (0.51) KMT2AKDM4EFDPSMEN1ALDH1A1
SCHEMBL2118592 0.81 FDPS (0.63) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2116560 0.81 KMT2A (0.45) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2115917 0.81 KMT2A (0.44) KMT2AKDM4EL3MBTL1MAPK1FDPS
Lithium Ion SCHEMBL2116736 0.80 FDPS (0.40) KMT2AKDM4EFDPSMEN1ALDH1A1
SCHEMBL2115840 0.78 KDM4E (0.41) KMT2AKDM4EL3MBTL1MAPK1FDPS

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 3 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 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 KMT2A 3963/4885KDM4E 2805/4885L3MBTL1 3236/4885

“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.