SCHEMBL4170703

SCHEMBL4170703

O=c1c2ncn(-c3cccc([N+](=O)[O-])c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
FGFR1 P11362 1/20 0.40
MCHR1 Q99705 2/20 0.39
POLB P06746 1/20 0.38
XDH P47989 1/20 0.38
PSD A5PKW4 1/20 0.37
NPC1 O15118 1/20 0.37
PDE4A P27815 1/20 0.36

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
SCHEMBL4704274 0.86 KDM4E (0.41) KDM4EMEN1GFERKMT2AALDH1A1
SCHEMBL4169089 0.85 XDH (0.44) MAPTMCHR1XDH
SCHEMBL1689130 0.85 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL1689079 0.85 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL1753300 0.85 FGFR1 (0.41) MEN1KMT2AMAPTRAB9AFGFR1
SCHEMBL15694340 0.84 MAPT (0.41) HTTMAPTMCHR1XDH
SCHEMBL4165904 0.83 MCHR1 (0.41) MAPTMCHR1XDH
SCHEMBL4172941 0.83 MCHR1 (0.42) MAPTMCHR1XDH
SCHEMBL4175211 0.83 TDP2 (0.42) MAPTMCHR1XDH
SCHEMBL13651680 0.83 GRM1 (0.40) MAPTMCHR1XDH

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 8 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
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 KDM4E 1045/4885MEN1 3584/4885GFER 2140/4885

“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.