SCHEMBL8242540

SCHEMBL8242540

CN(C)c1ccnc2sc(C(=O)NN)c(N)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
KDM4E B2RXH2 7/20 0.74
HTT P42858 6/20 0.74
CDK8 P49336 3/20 0.74
CDK19 Q9BWU1 1/20 0.74
LMNA P02545 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
HPGD P15428 2/20 0.73
ALOX15 P16050 2/20 0.73
TSHR P16473 2/20 0.73
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
STAT1 P42224 1/20 0.66
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL426655 0.85 CDK8 (1.00) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL12562445 0.85 ALDH1A1 (0.80) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL6100788 0.85 ALDH1A1 (0.80) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL429541 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL8242756 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL16071457 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL8238314 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL8242825 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL17485804 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EHTTCDK8CDK19
SCHEMBL4657890 0.75 CDK8 (0.76) ALDH1A1KDM4EHTTCDK8CDK19

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 16 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
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 EP 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-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-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-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
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 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 (3 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 ALDH1A1 1026/4885KDM4E 1129/4885HTT 374/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 ALDH1A1 1026/4885KDM4E 1129/4885HTT 374/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 ALDH1A1 1026/4885KDM4E 1129/4885HTT 374/4885

“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.