SCHEMBL4173004

SCHEMBL4173004

CC(=O)OCS(=O)(=O)c1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
GRM1 Q13255 6/20 0.56
GRM5 P41594 2/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
THRB P10828 1/20 0.51
KDR P35968 1/20 0.51
ABL1 P00519 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL4172834 0.87 GRM1 (0.55) MAPTGRM1GRM5TP53HPGD
SCHEMBL4164301 0.84 MAPT (0.61) MAPTGRM1GRM5TP53HPGD
SCHEMBL1753380 0.83 MAPT (0.80) MAPTGRM1GRM5TP53HPGD
SCHEMBL4174360 0.82 GRM1 (0.73) MAPTGRM1GRM5TP53HPGD
SCHEMBL1753030 0.82 MAPT (0.70) MAPTGRM1GRM5TP53HPGD
SCHEMBL1689346 0.82 MAPT (0.65) MAPTGRM1GRM5TP53HPGD
SCHEMBL1689149 0.82 MAPT (0.78) MAPTGRM1GRM5TP53HPGD
SCHEMBL2116103 0.81 TP53 (0.82) MAPTGRM1GRM5TP53HPGD
SCHEMBL1753259 0.81 TP53 (0.82) MAPTGRM1GRM5TP53HPGD
SCHEMBL1753279 0.81 MAPT (0.80) MAPTGRM1GRM5TP53HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
US-8722691-B2 Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2014-05-13 US disclosed
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US disclosed
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 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 (1 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-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity CNR1, CNR2, ITPR2 MAPT 2577/4885GRM1 424/4885GRM5 118/4885

“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.