SCHEMBL2300781

SCHEMBL2300781

O=c1[nH]cnc2c1sc1nccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.47
PIM3 Q86V86 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
DAPK3 O43293 2/20 0.47
PRKD3 O94806 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
DYRK1A Q13627 2/20 0.47
CDC7 O00311 1/20 0.47
IKBKB O14920 1/20 0.47
AURKA O14965 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
ROS1 P08922 1/20 0.47

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
SCHEMBL278692 0.77 CDC7 (0.51) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL2299936 0.75 LIMK1 (0.50) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL2300776 0.74 ALDH1A1 (0.34) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL23353118 0.72 KDM4E (0.48) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL8237434 0.71 GRM1 (0.54) PDPK1KDM4EHPGDALDH1A1KMT2A
SCHEMBL2303344 0.70 HPGD (0.43) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL10565373 0.69 PIM1 (0.57) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL24624032 0.68 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL2303678 0.68 PIM1 (0.44) PIM1PIM3CLK4DAPK3PRKD3
SCHEMBL273173 0.67 CHRM4 (0.57) PIM1PIM3CLK4DAPK3PRKD3

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-1966220-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2008-09-10 EP 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-20060009477-A1 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2006-01-12 US 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 PIM1 4792/4885PIM3 4853/4885CLK4 2646/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 PIM1 4792/4885PIM3 4853/4885CLK4 2646/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 PIM1 4785/4885PIM3 4852/4885CLK4 2556/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 PIM1 4792/4885PIM3 4853/4885CLK4 2646/4885

“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.