SCHEMBL4169669

SCHEMBL4169669

Nc1ccc(-c2ccc(-c3nc4c(ncn4-c4cccc(S(N)(=O)=O)c4)c(=O)n3-c3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.49
PTGS2 P35354 2/20 0.41
XDH P47989 3/20 0.39
MCHR1 Q99705 5/20 0.39
AOC3 Q16853 1/20 0.38
MAPT P10636 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
PTGS1 P23219 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
SCHEMBL4165708 0.93 GRM1 (0.42) GRM1PTGS2XDHMCHR1AOC3
SCHEMBL4170505 0.88 GRM1 (0.49) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4164283 0.87 GRM1 (0.47) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL1753528 0.87 XDH (0.45) GRM1XDHMCHR1AOC3MAPT
SCHEMBL4166736 0.85 TDP2 (0.42) GRM1PTGS2XDHMCHR1AOC3
SCHEMBL4163320 0.85 GRM1 (0.47) GRM1PTGS2XDHMCHR1AOC3
SCHEMBL4172203 0.85 XDH (0.39) XDHMCHR1AOC3MAPT
SCHEMBL4166739 0.84 AOC3 (0.40) GRM1XDHMCHR1AOC3MAPT
SCHEMBL27765794 0.82 AOC3 (0.40) GRM1XDHMCHR1AOC3MAPT
SCHEMBL10317090 0.81 GRM1 (0.50) GRM1PTGS2XDHMCHR1MAPT

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 11 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
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN 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
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN 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 424/4885PTGS2 713/4885XDH 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.