SCHEMBL1308440

SCHEMBL1308440

O=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 7/20 0.53
MICA Q29983 7/20 0.53
RAET1L Q5VY80 5/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RORC P51449 1/20 0.48
RORB Q92753 1/20 0.48
ACP3 P15309 1/20 0.47
CTSA P10619 1/20 0.47
ABCB1 P08183 1/20 0.47
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45

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
SCHEMBL1308364 0.88 ITGB1 (0.47) KLRK1MICARAET1LMEN1MAPT
SCHEMBL1307758 0.86 KLRK1 (0.54) KLRK1MICARAET1LKEAP1NFE2L2
SCHEMBL1309664 0.85 KLRK1 (0.53) KLRK1MICARAET1LRXFP1KEAP1
SCHEMBL22274977 0.77 NPC1 (0.53) RXFP1MEN1ALDH1A1LMNAMAPT
SCHEMBL1307353 0.77 KEAP1 (0.50) KEAP1NFE2L2MEN1ALDH1A1LMNA
SCHEMBL8752678 0.76 NPSR1 (0.49) KLRK1MICARAET1LMEN1ALDH1A1
SCHEMBL3455896 0.74 RXFP1 (0.88) RXFP1MEN1ALDH1A1LMNAMAPT
SCHEMBL20764658 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1MEN1
SCHEMBL30117107 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1MEN1
SCHEMBL381877 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1MEN1

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 9 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
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP claimed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO 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
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO 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 KLRK1 2741/4885MICA 2838/4885RAET1L 1190/4885

“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.