SCHEMBL2302794

SCHEMBL2302794

O=c1nc[nH]c2c1sc1cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
NCOA1 Q15788 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RCE1 Q9Y256 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33

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
SCHEMBL2303768 0.88 KDM4A (0.41) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL2302798 0.76 KDM4A (0.51) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL2303673 0.74 ALDH1A1 (0.32) ALDH1A1CSNK2A1DYRK1APDPK1
SCHEMBL19040891 0.72 PIM1 (0.46) ALDH1A1KDM4EPIM1GSK3AGSK3B
SCHEMBL2303335 0.71 CYP1A2 (0.32) ALDH1A1HPGD
SCHEMBL2299934 0.71 LIMK1 (0.42) ALDH1A1KDM4EAURKADAPK3ROCK2
SCHEMBL271817 0.71 LIMK1 (0.41) ALDH1A1KDM4EHPGDHTTLIMK1
SCHEMBL6363594 0.68 KDM4C (0.53) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL2303771 0.67 KDM4A (0.47) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL11885002 0.66 KDM4E (0.44) ALDH1A1KDM4EGLAGAAHPGD

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.