SCHEMBL1306947

SCHEMBL1306947

O=C(Cc1cccc(Cl)c1)Nc1ncccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DHODH Q02127 2/20 0.50
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1C Q13936 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
MAPK8 P45983 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
CSNK1D P48730 2/20 0.48
KCNQ2 O43526 3/20 0.47
PPIA P62937 1/20 0.47
KDR P35968 1/20 0.47
GSK3A P49840 1/20 0.46
MAPK10 P53779 1/20 0.46
RIOK2 Q9BVS4 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL1308245 0.86 KMT2A (0.60) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL18640723 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL8808257 0.82 KDR (0.51) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1307643 0.78 MEN1 (0.63) MEN1KMT2ARAB9ASMN1; SMN2DHODH
SCHEMBL1307479 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL31439510 0.77 DHODH (0.55) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1306728 0.76 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2MAPK8
SCHEMBL4905983 0.75 DHODH (0.72) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17603628 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL13789621 0.74 DHODH (0.55) MEN1KMT2AALDH1A1RAB9ASMN1; 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 MEN1 2312/4885KMT2A 1570/4885ALDH1A1 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.