SCHEMBL1307758

SCHEMBL1307758

O=C(NC(C(=O)O)c1cccc(C(F)(F)F)c1)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 8/20 0.54
MICA Q29983 8/20 0.54
RAET1L Q5VY80 7/20 0.54
ALDH1A1 P00352 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
ACP3 P15309 2/20 0.48
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CTSA P10619 1/20 0.46
SLC6A9 P48067 1/20 0.46
CES2 O00748 1/20 0.45
GPR139 Q6DWJ6 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 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
SCHEMBL1309664 0.86 KLRK1 (0.53) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL1308440 0.86 KLRK1 (0.53) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL1308364 0.79 ITGB1 (0.47) KLRK1MICARAET1LACP3CTSA
SCHEMBL1308387 0.77 LMNA (0.54) ALDH1A1KEAP1NFE2L2MEN1KMT2A
SCHEMBL8752678 0.76 NPSR1 (0.49) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL30117107 0.74 CTSS (0.49) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL381877 0.74 CTSS (0.49) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL20764658 0.74 CTSS (0.49) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL13168021 0.74 CTSS (0.49) KLRK1MICARAET1LALDH1A1ACP3
SCHEMBL5950037 0.73 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2A

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.