SCHEMBL1307523

SCHEMBL1307523

O=C(O)c1cc(Br)ccc1NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KCNK2 O95069 1/20 0.56
▸ KCNK10 P57789 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ AKR1C2 P52895 3/20 0.55
▸ AKR1C1 Q04828 3/20 0.55
▸ AKR1C4 P17516 1/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ KCNK3 O14649 1/20 0.52
▸ KCNK9 Q9NPC2 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ DHODH Q02127 1/20 0.51
▸ TAS2R14 Q9NYV8 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ PTGS1 P23219 1/20 0.49

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
SCHEMBL1307975 0.85 MEN1 (0.60) MEN1KMT2ASMN1; SMN2AKR1C2AKR1C3
SCHEMBL1307808 0.84 KDM4E (0.64) MEN1KMT2AKCNK2KCNK10AKR1C2
SCHEMBL6440417 0.84 GRIK1 (0.62) MEN1KMT2AKCNK2KCNK10SMN1; SMN2
SCHEMBL1307972 0.82 TP53 (0.70) MEN1KMT2AKCNK2KCNK10AKR1C2
SCHEMBL1308673 0.82 AKR1C2 (0.62) MEN1KMT2AKCNK2KCNK10SMN1; SMN2
SCHEMBL1310012 0.81 AKR1C2 (0.60) MEN1KMT2AKCNK2KCNK10AKR1C2
SCHEMBL1307640 0.80 ALDH1A1 (0.60) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL1307557 0.80 TP53 (0.67) MEN1KMT2ASMN1; SMN2AKR1C2AKR1C1
SCHEMBL6817565 0.79 KMT2A (0.60) MEN1KMT2AKCNK2KCNK10SMN1; SMN2
SCHEMBL9513479 0.79 MAPT (0.80) MEN1KMT2AKCNK2KCNK10AKR1C2

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 1570/4885KCNK2 952/4885

“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.

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