SCHEMBL2302798

SCHEMBL2302798

O=c1[nH]cnc2c1sc1cnccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 5/20 0.51
KDM4B O94953 5/20 0.51
KDM5C P41229 5/20 0.51
KDM5B Q9UGL1 5/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
PIM1 P11309 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
PIM3 Q86V86 3/20 0.46
DAPK3 O43293 3/20 0.46
PRKD3 O94806 3/20 0.46
GSK3A P49840 3/20 0.46
GSK3B P49841 3/20 0.46
DYRK1A Q13627 3/20 0.46
AURKA O14965 2/20 0.46
MAP4K4 O95819 2/20 0.46
RET P07949 2/20 0.46
IGF1R P08069 2/20 0.46
CLK2 P49760 2/20 0.46
PRKX P51817 2/20 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
SCHEMBL2303771 0.88 KDM4A (0.47) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL4208864 0.80 KRAS (0.51) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL2302794 0.76 KDM4A (0.44) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL2303678 0.75 PIM1 (0.44) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL4207983 0.75 PIM1 (0.49) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL4207625 0.75 PARP1 (0.49) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL4215069 0.75 ALDH1A1 (0.53) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL2299936 0.72 LIMK1 (0.50) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL4213078 0.72 PIM1 (0.59) PIM1CLK4PIM3DAPK3PRKD3
SCHEMBL4207979 0.72 PARP1 (0.53) PIM1CLK4PIM3DAPK3PRKD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 EP disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
EP-1765829-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2007-03-28 EP disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060009477-A1 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2006-01-12 US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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 (4 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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 KDM4A 967/4885KDM4B 1165/4885KDM5C 1522/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 KDM4A 967/4885KDM4B 1165/4885KDM5C 1522/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 KDM4A 948/4885KDM4B 1192/4885KDM5C 1555/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 KDM4A 967/4885KDM4B 1165/4885KDM5C 1522/4885

“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.