SCHEMBL1307746

SCHEMBL1307746

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 13/20 0.70
▸ GRM4 Q14833 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ GRM5 P41594 2/20 0.56
▸ PYGL P06737 1/20 0.55
▸ PYGM P11217 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL28628481 0.87 GRM4 (0.59) GRIK1GRM4HDAC6GRM5KMT2A
SCHEMBL29644052 0.87 GRM4 (0.59) GRIK1GRM4HDAC6GRM5KMT2A
SCHEMBL29217385 0.84 GRM4 (0.61) GRM4HDAC6GRM5KMT2AMEN1
SCHEMBL18906043 0.83 HDAC1 (0.64) GRM4HDAC6PYGLPYGMKMT2A
SCHEMBL3962633 0.82 GRIK1 (1.00) GRIK1KMT2AMEN1
SCHEMBL1310106 0.82 GRIK1 (0.74) GRIK1KMT2AMEN1
SCHEMBL27716776 0.81 SNCA (0.56) GRIK1GRM4HDAC6GRM5PYGL
SCHEMBL2268181 0.81 MAPT (0.52) GRIK1GRM4HDAC6GRM5PYGL
SCHEMBL24298091 0.81 GRM4 (0.67) GRM4HDAC6GRM5KMT2AKDM4E
SCHEMBL29496337 0.81 GRM4 (0.67) GRM4HDAC6GRM5KMT2AKDM4E

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 13 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
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 — — EP disclosed
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 — — EP disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 — — US disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 — — US disclosed
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
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 — — 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 GRIK1 2986/4885GRM4 4683/4885HDAC6 3002/4885

“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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