SCHEMBL2117674

SCHEMBL2117674

N#Cc1ccc2cc(I)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.43
PIM1 P11309 5/20 0.41
ALOX15 P16050 6/20 0.37
SRC P12931 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HCRTR1 O43613 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 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
SCHEMBL2115464 0.84 SOS2 (0.43) SOS2PIM1ALOX15SRCMCL1
SCHEMBL2118311 0.84 PIM1 (0.46) SOS2PIM1ALOX15SRCMCL1
SCHEMBL13689572 0.79 NCF1 (0.39) PIM1ALOX15KDM4EGAAMEN1
SCHEMBL2116276 0.79 CTSB (0.43) SOS2PIM1KDM4EMEN1ALDH1A1
SCHEMBL2116537 0.77 PIM1 (0.50) SOS2PIM1MCL1KDM4EGAA
SCHEMBL2116777 0.76 ALOX15 (0.49) SOS2ALOX15SRCMEN1ALDH1A1
SCHEMBL2118893 0.75 FDPS (0.52) ALOX15MCL1KDM4EMEN1ALDH1A1
SCHEMBL2116734 0.74 FDPS (0.51) ALOX15MCL1KDM4EMEN1ALDH1A1
SCHEMBL2116297 0.74 GPR84 (0.35) MCL1KDM4EGAAMEN1ALDH1A1
Lithium SCHEMBL2116737 0.74 FDPS (0.51) ALOX15MCL1KDM4EMEN1ALDH1A1

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 4 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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN 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 SOS2 1622/4885PIM1 2265/4885ALOX15 1414/4885

“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.