SCHEMBL1307133

SCHEMBL1307133

CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ PKM P14618 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ HDAC1 Q13547 1/20 0.66
▸ GRIK1 P39086 10/20 0.62
▸ KCNK2 O95069 1/20 0.62
▸ KCNK10 P57789 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.58
▸ PRSS12 P56730 2/20 0.56
▸ SERPINE1 P05121 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL1308714 0.87 MEN1 (0.76) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL11432068 0.85 CACNA1B (0.54) MEN1KMT2APKMNPSR1HDAC1
SCHEMBL6750019 0.84 KDM4E (0.75) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL31102464 0.84 KDM4E (0.75) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL1310106 0.83 GRIK1 (0.74) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL1308442 0.81 KMT2A (1.00) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL14075267 0.81 SERPINE1 (0.80) MEN1KMT2APKMNPSR1GRIK1
SCHEMBL19462489 0.81 HDAC1 (0.73) KMT2AHDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2275697 0.80 HDAC1 (0.69) MEN1KMT2APKMHDAC1GRIK1
SCHEMBL15550817 0.80 HDAC1 (1.00) HDAC1

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 7 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
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

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 1570/4885PKM 40/4885

“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.

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