SCHEMBL1310079

SCHEMBL1310079

O=C(O)c1cc(I)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.78
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PTPRC P08575 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPRA P18433 1/20 0.56
PTPRB P23467 1/20 0.56
PTPRE P23469 1/20 0.56
PTPN6 P29350 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.55
SLC16A3 O15427 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
DEGS1 O15121 1/20 0.54
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.53
EP300 Q09472 1/20 0.53

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
SCHEMBL1954449 0.87 GFER (0.80) GFERKDM4EALDH1A1PTPN1MEN1
SCHEMBL1955845 0.87 GFER (0.78) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL9281809 0.85 GFER (0.76) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL14413339 0.85 GFER (0.76) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL1308410 0.85 GFER (0.76) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL1307732 0.85 GFER (0.76) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL1309719 0.82 PTPRC (0.62) GFERALDH1A1PTPRCPTPN2PTPN1
SCHEMBL6350942 0.82 GFER (0.70) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL5221802 0.82 GFER (0.70) GFERKDM4EALDH1A1MEN1KMT2A
SCHEMBL5221765 0.81 GFER (0.69) GFERALDH1A1MEN1KMT2ARAB9A

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 GFER 4644/4885KDM4E 724/4885ALDH1A1 1105/4885

“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.