SCHEMBL1307201

SCHEMBL1307201

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.64
KCNK10 P57789 2/20 0.64
SERPINE1 P05121 7/20 0.64
AKR1C2 P52895 2/20 0.64
AKR1C1 Q04828 2/20 0.64
AKR1C4 P17516 1/20 0.64
AKR1C3 P42330 1/20 0.64
ACLY P53396 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
DNMT3A Q9Y6K1 1/20 0.61
MAPT P10636 3/20 0.61
METAP2 P50579 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GRIK1 P39086 1/20 0.58

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
SCHEMBL17166275 0.92 AKR1C2 (0.73) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL6350175 0.88 ACLY (0.79) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL6348852 0.88 AKR1C2 (0.72) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL9513479 0.86 MAPT (0.80) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL6352359 0.86 METAP2 (0.71) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL1308635 0.86 AKR1C2 (0.65) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6360570 0.85 KCNK2 (0.68) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL6350407 0.85 KCNK2 (0.64) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL19554148 0.85 DHODH (0.70) KCNK2KCNK10SERPINE1AKR1C2AKR1C1
SCHEMBL6349749 0.85 ACLY (0.58) KCNK2KCNK10SERPINE1AKR1C2AKR1C1

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-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
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 KCNK2 952/4885KCNK10 1098/4885SERPINE1 2130/4885

“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.