SCHEMBL2303673

SCHEMBL2303673

O=c1nc[nH]c2c1sc1cncnc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
PDPK1 O15530 1/20 0.31
MEN1 O00255 1/20 0.30
CSNK2A2 P19784 1/20 0.30
RAB9A P51151 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
KMT2A Q03164 1/20 0.30
DYRK1A Q13627 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL2303678 0.76 PIM1 (0.44) ALDH1A1PDPK1MEN1RAB9ACSNK2A1
SCHEMBL2299934 0.75 LIMK1 (0.42) ALDH1A1PDPK1CSNK2A1DYRK1A
SCHEMBL2303335 0.75 CYP1A2 (0.32) ALDH1A1RAB9A
SCHEMBL2302794 0.74 KDM4A (0.44) ALDH1A1PDPK1CSNK2A1DYRK1A
SCHEMBL2303768 0.71 KDM4A (0.41) ALDH1A1CSNK2A1DYRK1A
SCHEMBL2300776 0.69 ALDH1A1 (0.34) ALDH1A1PDPK1MEN1CSNK2A2RAB9A
SCHEMBL7014722 0.67 PNP (0.34) ALDH1A1PDPK1
SCHEMBL17917464 0.67 EGFR (0.31)
SCHEMBL19040891 0.64 PIM1 (0.46) ALDH1A1CSNK2A1DYRK1A
SCHEMBL3433750 0.61 NPSR1 (0.53) ALDH1A1MEN1RAB9AKMT2A

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 ALDH1A1 1026/4885PDPK1 1953/4885MEN1 1407/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 ALDH1A1 1026/4885PDPK1 1953/4885MEN1 1407/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 ALDH1A1 966/4885PDPK1 1822/4885MEN1 1372/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 ALDH1A1 1026/4885PDPK1 1953/4885MEN1 1407/4885

“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.