SCHEMBL8243453

SCHEMBL8243453

COC(=O)c1sc2ncnc(NCC(F)(F)F)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
MKNK2 Q9HBH9 10/20 0.42
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.87 KDM4E (0.49) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8237173 0.83 GRM1 (0.47) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8244623 0.81 KDM4E (0.54) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8242657 0.79 KDM4E (0.48) GRM1KDM4EALDH1A1MKNK2MKNK1
SCHEMBL13924001 0.79 KDM4E (0.48) GRM1KDM4EALDH1A1MKNK2MKNK1
SCHEMBL8244966 0.76 DRD4 (0.48) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8242840 0.75 KDM4E (0.50) KDM4EALDH1A1L3MBTL1POLBMAPT
SCHEMBL8235229 0.75 HSD17B10 (0.56) KDM4EALDH1A1L3MBTL1POLBMAPT
SCHEMBL8243786 0.73 KDM4E (0.50) GRM1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL8245982 0.71 KDM4E (0.46) GRM1KDM4EALDH1A1L3MBTL1POLB

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 14 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
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
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.