SCHEMBL4172941

SCHEMBL4172941

CSc1cccc(-n2cnc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
MAPT P10636 2/20 0.41
XDH P47989 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GRM1 Q13255 2/20 0.37
TP53 P04637 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL4169089 0.86 XDH (0.44) MCHR1MAPTXDHRXFP1GRM1
SCHEMBL4165651 0.86 MCHR1 (0.37) MCHR1MAPTXDHRXFP1
SCHEMBL1689079 0.85 MAPT (0.49) MCHR1MAPTXDHRXFP1GRM1
SCHEMBL1689130 0.85 MAPT (0.49) MCHR1MAPTXDHRXFP1GRM1
SCHEMBL4704498 0.85 MCHR1 (0.38) MCHR1MAPTXDHMAPK13MAPK12
SCHEMBL4173644 0.85 GRM1 (0.41) MCHR1MAPTXDHGRM1
SCHEMBL15694340 0.84 MAPT (0.41) MCHR1MAPTXDHRXFP1GRM1
SCHEMBL4165904 0.84 MCHR1 (0.41) MCHR1MAPTXDHRXFP1GRM1
SCHEMBL4175211 0.84 TDP2 (0.42) MCHR1MAPTXDH
SCHEMBL13651680 0.84 GRM1 (0.40) MCHR1MAPTXDHRXFP1GRM1

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 7 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

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 MCHR1 1596/4885MAPT 2577/4885XDH 1989/4885

“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.