SCHEMBL4167532

SCHEMBL4167532

CS(=O)(=O)c1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)n(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.44
GRM1 Q13255 2/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGS2 P35354 3/20 0.39
DHFR P00374 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1753271 0.90 MAPT (0.46) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL1689025 0.87 CNR1 (0.40) MAPTTP53GRM1GRM5THRB
SCHEMBL1689086 0.87 MAPT (0.43) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4174355 0.86 MAPT (0.44) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4164852 0.86 MAPT (0.44) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL1688985 0.86 MAPT (0.42) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL1689273 0.85 MAPT (0.52) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL5612004 0.85 MAPT (0.43) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4177489 0.84 MAPT (0.41) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4164853 0.84 MAPT (0.45) MAPTTP53GRM1GRM5ALDH1A1

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 2577/4885TP53 2988/4885GRM1 424/4885

“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.