SCHEMBL4164283

SCHEMBL4164283

Nc1ccc(-c2ccc(-c3nc4c(ncn4-c4cccc(S(N)(=O)=O)c4)c(=O)n3-c3ccc(Cl)cc3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.47
PTGS2 P35354 5/20 0.40
XDH P47989 3/20 0.38
MCHR1 Q99705 2/20 0.36
MAPT P10636 1/20 0.36
CA2 P00918 6/20 0.35
CA9 Q16790 5/20 0.35
CA1 P00915 5/20 0.35
CA12 O43570 4/20 0.35
PTGS1 P23219 3/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 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
SCHEMBL4168810 0.93 GRM1 (0.41) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4163320 0.87 GRM1 (0.47) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4169669 0.87 GRM1 (0.49) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4170505 0.87 GRM1 (0.49) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4161595 0.86 TDP2 (0.42) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL4165895 0.85 XDH (0.38) GRM1XDHMCHR1MAPT
SCHEMBL4158635 0.85 XDH (0.38) GRM1XDHMCHR1MAPT
SCHEMBL4164601 0.84 GRM1 (0.67) GRM1MAPT
SCHEMBL28776509 0.83 XDH (0.38) GRM1PTGS2XDHMCHR1MAPT
SCHEMBL10317399 0.83 PTGS2 (0.36) PTGS2XDH

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.