SCHEMBL2118311

SCHEMBL2118311

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.46
SOS2 Q07890 1/20 0.43
ALOX15 P16050 6/20 0.43
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
SRC P12931 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 2/20 0.35
HCRTR1 O43613 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL2117674 0.84 SOS2 (0.43) PIM1SOS2ALOX15KDM4EMEN1
SCHEMBL2115464 0.84 SOS2 (0.43) PIM1SOS2ALOX15KDM4EMEN1
SCHEMBL13689609 0.81 PLAU (0.41) PIM1ALOX15MEN1KMT2AHSD17B10
SCHEMBL2116276 0.79 CTSB (0.43) PIM1SOS2KDM4EMEN1KMT2A
SCHEMBL2116537 0.77 PIM1 (0.50) PIM1SOS2KDM4EMEN1KMT2A
SCHEMBL2116777 0.76 ALOX15 (0.49) SOS2ALOX15MEN1KMT2AALDH1A1
SCHEMBL27801376 0.76 DHFR (0.37) PIM1ALOX15MEN1KMT2AHSD17B10
SCHEMBL2118027 0.75 FDPS (0.57) ALOX15KDM4EMEN1KMT2AHSD17B10
SCHEMBL20508981 0.74 ALDH1A1 (0.46) PIM1ALOX15KDM4EMEN1KMT2A
SCHEMBL2116619 0.74 FDPS (0.36) PIM1MEN1KMT2AHSD17B10ALDH1A1

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 PIM1 2265/4885SOS2 1622/4885ALOX15 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.