SCHEMBL2116537

SCHEMBL2116537

N#Cc1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.50
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
SOS2 Q07890 1/20 0.37
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 1/20 0.34
ADORA2B P29275 1/20 0.34
HTT P42858 1/20 0.34
ADRB1 P08588 1/20 0.34
MEN1 O00255 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
SCHEMBL3399048 0.80 PIM1 (0.41) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL2118764 0.79 FDPS (0.46) PIM1KDM4EALDH1A1LMNAMCL1
Lithium SCHEMBL2119069 0.78 FDPS (0.45) PIM1KDM4EALDH1A1LMNAMCL1
SCHEMBL2116012 0.78 PIM1 (0.39) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL2119059 0.78 FDPS (0.45) PIM1KDM4EALDH1A1LMNAMCL1
Lithium Ion SCHEMBL2119062 0.77 PIM1 (0.39) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL2118311 0.77 PIM1 (0.46) PIM1SOS2KDM4EALDH1A1MAPT
SCHEMBL2115464 0.77 SOS2 (0.43) PIM1SOS2KDM4EALDH1A1GAA
SCHEMBL2117674 0.77 SOS2 (0.43) PIM1SOS2KDM4EALDH1A1MAPT
SCHEMBL2117060 0.75 GSTM2 (0.38) PIM1KDM4EALDH1A1MAPTGAA

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 1 patent. 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

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 2265/4885ADORA2A 4429/4885ADORA1 3656/4885

“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.