SCHEMBL1308232

SCHEMBL1308232

O=C(Cc1cccc(Cl)c1)Nc1c(Br)cc(Br)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 1/20 0.50
MAPK8 P45983 1/20 0.48
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1C Q13936 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
KCNQ2 O43526 6/20 0.46
HSPD1 P10809 1/20 0.45
HSPE1 P61604 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL1307192 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL1309785 0.81 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL1308047 0.81 GALR3 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1308435 0.79 KCNJ5 (0.49) MEN1KMT2AALDH1A1MAPK8KCNQ2
SCHEMBL1308305 0.79 GRIK1 (0.56) MEN1KMT2AALDH1A1MAPTKCNQ2
SCHEMBL1306728 0.76 MEN1 (0.65) MEN1KMT2AALDH1A1MAPK8KCNQ2
SCHEMBL21156700 0.72 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL7735681 0.72 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTMAPK8
SCHEMBL1306947 0.72 MEN1 (0.51) MEN1KMT2AALDH1A1MAPK8CACNA1G
SCHEMBL15648896 0.71 KMT2A (0.60) MEN1KMT2AALDH1A1MAPTMAPK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 MEN1 2312/4885KMT2A 1570/4885ALDH1A1 1105/4885

“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.