SCHEMBL1308635

SCHEMBL1308635

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.65
AKR1C1 Q04828 4/20 0.65
AKR1C4 P17516 1/20 0.65
AKR1C3 P42330 1/20 0.65
KCNK2 O95069 1/20 0.58
KCNK10 P57789 1/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ABL1 P00519 1/20 0.58
TSHR P16473 1/20 0.58
RIN1 Q13671 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DHODH Q02127 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.56
ACLY P53396 1/20 0.56
RPA1 P27694 1/20 0.53
GRIK1 P39086 1/20 0.52
SLC16A3 O15427 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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 0.87 AKR1C2 (0.73) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL14075225 0.86 MEN1 (0.66) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL1307201 0.86 KCNK2 (0.64) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL13399604 0.84 AKR1C2 (0.76) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL6350175 0.83 ACLY (0.79) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL6348852 0.82 AKR1C2 (0.72) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2
SCHEMBL14075196 0.82 LTC4S (0.68) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL1307097 0.82 AKR1C2 (0.76) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6353396 0.82 RPA1 (0.58) KCNK2KCNK10MAPTMEN1KMT2A
SCHEMBL6833067 0.82 AKR1C2 (0.56) AKR1C2AKR1C1AKR1C4AKR1C3KCNK2

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 AKR1C2 2289/4885AKR1C1 1435/4885AKR1C4 2250/4885

“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.