SCHEMBL4164739

SCHEMBL4164739

CS(=O)(=O)c1cccc(-n2nnc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5ccc(N)nc5)cc4)nc32)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.44
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.39
TP53 P04637 1/20 0.39
PTGS2 P35354 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK2 O43353 2/20 0.37
PIK3CD O00329 3/20 0.37
BRD4 O60885 4/20 0.37
BRD2 P25440 2/20 0.37
BRD3 Q15059 2/20 0.37
BRDT Q58F21 1/20 0.37
CREBBP Q92793 1/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CCR1 P32246 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL4166726 0.87 MAPT (0.44) GRM1MAPTTP53PTGS2TSHR
SCHEMBL4165708 0.86 GRM1 (0.42) GRM1MAPTAOC3PTGS2RIPK2
SCHEMBL4167589 0.86 GRM1 (0.61) GRM1MAPTTP53TSHR
SCHEMBL4163364 0.85 GRM1 (0.41) GRM1MAPTAOC3TP53PTGS2
SCHEMBL4177336 0.81 GRM1 (0.39) GRM1MAPTTP53PTGS2TSHR
SCHEMBL4700332 0.79 GRM1 (0.42) GRM1MAPTAOC3TP53PTGS2
SCHEMBL4165588 0.79 GRM1 (0.62) GRM1MAPTTP53TSHR
SCHEMBL4169669 0.79 GRM1 (0.49) GRM1MAPTAOC3PTGS2PTGS1
SCHEMBL4163385 0.77 GRM1 (0.60) GRM1MAPTTP53TSHR
SCHEMBL4175233 0.77 GRM1 (0.59) GRM1MAPTTP53TSHR

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
EP-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP claimed
US-20090247556-A1 Azolopyrimidines as Inhibitors of Cannabinoid 1 Activity IRM LLC (BM) 2009-10-01 US claimed
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
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 GRM1 424/4885MAPT 2577/4885AOC3 3023/4885

“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.