SCHEMBL1309907

SCHEMBL1309907

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccccc1Br

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 0.71
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.67
HPGD P15428 1/20 0.67
RAB9A P51151 1/20 0.67
TP53 P04637 1/20 0.66
GRIK2 Q13002 1/20 0.55
F10 P00742 1/20 0.55
KCNK2 O95069 1/20 0.54
KCNK10 P57789 1/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KCNMA1 Q12791 1/20 0.54

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
SCHEMBL1308303 0.89 TP53 (0.78) GRIK1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL1308314 0.85 GRIK1 (0.69) GRIK1SMN1; SMN2HPGDKMT2AKDM4E
SCHEMBL28717905 0.84 NPC1 (0.76) GRIK1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6426650 0.83 KMT2A (0.69) SMN1; SMN2NPC1HPGDRAB9ATP53
SCHEMBL3961520 0.83 GRIK1 (1.00) GRIK1GRIK2
SCHEMBL1310106 0.82 GRIK1 (0.74) GRIK1KCNK2KCNK10KMT2AMEN1
SCHEMBL1308632 0.81 GRIK1 (0.72) GRIK1RAB9ATP53GRIK2KMT2A
SCHEMBL1308769 0.80 PPARG (0.69) GRIK1SMN1; SMN2NPC1RAB9AKCNK2
SCHEMBL1308706 0.80 KCNMA1 (0.74) GRIK1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL14856104 0.80 GRIK1 (0.70) GRIK1SMN1; SMN2NPC1HPGDRAB9A

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 GRIK1 2986/4885SMN1; SMN2 3584/4885NPC1 3431/4885

“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.