SCHEMBL8237173

SCHEMBL8237173

COC(=O)c1sc2ncnc(NCCO)c2c1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
IKBKB O14920 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MKNK2 Q9HBH9 3/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
RAF1 P04049 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL8243690 0.89 KDM4E (0.49) GRM1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8243453 0.83 GRM1 (0.47) GRM1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8244623 0.83 KDM4E (0.54) GRM1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8244966 0.78 DRD4 (0.48) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8242840 0.77 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL8235229 0.77 HSD17B10 (0.56) KDM4EALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL8243786 0.74 KDM4E (0.50) GRM1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8245982 0.73 KDM4E (0.46) GRM1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8234971 0.72 NOTUM (0.63) KDM4EALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL4270382 0.71 MKNK2 (0.59) MKNK2

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 GRM1 1/4885KDM4E 1129/4885ALDH1A1 1026/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 GRM1 1/4885KDM4E 1129/4885ALDH1A1 1026/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 GRM1 1/4885KDM4E 1129/4885ALDH1A1 1026/4885

“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.