SCHEMBL2303344

SCHEMBL2303344

O=c1[nH]cnc2c1sc1ncncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 3/20 0.43
PIM3 Q86V86 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
CDC7 O00311 1/20 0.43
IKBKB O14920 1/20 0.43

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) HPGDKDM4EALDH1A1KMT2APOLB
SCHEMBL2303335 0.75 CYP1A2 (0.32) HPGDALDH1A1CYP1A2TMIGD3CYP2C9
SCHEMBL278692 0.75 CDC7 (0.51) HPGDKDM4EALDH1A1KMT2APOLB
SCHEMBL2303771 0.74 KDM4A (0.47) HPGDKDM4EALDH1A1KMT2APOLB
SCHEMBL2302798 0.71 KDM4A (0.51) HPGDKDM4EALDH1A1KMT2APOLB
SCHEMBL2300781 0.70 PIM1 (0.47) HPGDKDM4EALDH1A1KMT2APOLB
SCHEMBL21048228 0.69 CLK1 (0.64) HPGDKDM4EALDH1A1HSD17B10PIM1
SCHEMBL6111581 0.69 KDM4E (0.41) HPGDKDM4EALDH1A1KMT2AMAPK1
SCHEMBL4208864 0.68 KRAS (0.51) KDM4ESMN1; SMN2PIM1PIM3CLK4
SCHEMBL8277908 0.67 KDM4E (0.49) HPGDKDM4EALDH1A1KMT2APOLB

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
WO-2006010568-A3 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-09-14 WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO 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 HPGD 1200/4885KDM4E 1129/4885ALDH1A1 1026/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 HPGD 1200/4885KDM4E 1129/4885ALDH1A1 1026/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 HPGD 1207/4885KDM4E 1129/4885ALDH1A1 966/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 HPGD 1200/4885KDM4E 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.