SCHEMBL1307149

SCHEMBL1307149

O=C(NC(C(=O)O)c1ccc(F)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.46
ITGB1 P05556 3/20 0.44
ITGA4 P13612 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.43
P2RX7 Q99572 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ITGB7 P26010 1/20 0.41
CTSA P10619 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL1307353 0.84 KEAP1 (0.50) ALDH1A1KMT2AMEN1P2RX7KEAP1
SCHEMBL15787077 0.77 CA1 (0.55) KMT2AMEN1KEAP1NFE2L2CA1
SCHEMBL15787085 0.77 CA1 (0.55) KMT2AMEN1KEAP1NFE2L2CA1
SCHEMBL15787076 0.77 CA1 (0.55) KMT2AMEN1KEAP1NFE2L2CA1
SCHEMBL1308364 0.77 ITGB1 (0.47) ITGB1ITGA4KMT2AMEN1ITGB7
SCHEMBL1308387 0.75 LMNA (0.54) ALDH1A1GAAKMT2AMEN1KEAP1
SCHEMBL5950200 0.74 MEN1 (0.58) ALDH1A1KMT2AMEN1LMNA
SCHEMBL13181790 0.73 HDAC3 (0.47) ALDH1A1KMT2AMEN1HDAC4HDAC1
SCHEMBL5843859 0.73 SMN1; SMN2 (0.59) ALDH1A1GAAKMT2AMEN1HDAC8
SCHEMBL6374146 0.72 CNR1 (0.59) ALDH1A1KMT2ALMNA

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 ITGB2 3662/4885ICAM1 1257/4885ITGAL 2699/4885

“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.