SCHEMBL1309664

SCHEMBL1309664

O=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 8/20 0.53
MICA Q29983 8/20 0.53
RAET1L Q5VY80 7/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ACP3 P15309 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.44
SLC6A9 P48067 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43

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
SCHEMBL1307758 0.86 KLRK1 (0.54) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL1308440 0.85 KLRK1 (0.53) KLRK1MICARAET1LRXFP1SMN1; SMN2
SCHEMBL1308364 0.78 ITGB1 (0.47) KLRK1MICARAET1LSMN1; SMN2ACP3
SCHEMBL1309285 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL8752678 0.76 NPSR1 (0.49) KLRK1MICARAET1LSMN1; SMN2ALDH1A1
SCHEMBL5665824 0.74 RXFP1 (0.88) RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL381877 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1SMN1; SMN2
SCHEMBL30117107 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1SMN1; SMN2
SCHEMBL20764658 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1SMN1; SMN2
SCHEMBL13168021 0.73 CTSS (0.49) KLRK1MICARAET1LRXFP1SMN1; SMN2

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.