SCHEMBL1310106

SCHEMBL1310106

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.74
MEN1 O00255 2/20 0.70
PKM P14618 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
KCNMA1 Q12791 1/20 0.69
SERPINE1 P05121 4/20 0.69
MAPT P10636 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KCNK2 O95069 1/20 0.67
KCNK10 P57789 1/20 0.67
ACLY P53396 1/20 0.63
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
SUCNR1 Q9BXA5 1/20 0.60

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
SCHEMBL1308714 0.92 MEN1 (0.76) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL14075267 0.91 SERPINE1 (0.80) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL1308515 0.91 GRIK1 (0.80) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL2272049 0.88 ACLY (0.78) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL674168 0.88 KCNMA1 (0.66) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL6351321 0.87 SERPINE1 (0.89) GRIK1MEN1PKMKMT2AKCNMA1
SCHEMBL1307456 0.86 GRIK1 (0.67) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL2276482 0.86 ACLY (0.74) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL14075271 0.86 GRIK1 (1.00) GRIK1MEN1PKMKMT2ANPSR1
SCHEMBL5146969 0.85 SERPINE1 (0.63) GRIK1MEN1PKMKMT2ANPSR1

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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US 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

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 GRIK1 2986/4885MEN1 2312/4885PKM 40/4885

“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.