SCHEMBL4166769

SCHEMBL4166769

O=c1c2cnn(-c3cccc([N+](=O)[O-])c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
GRM1 Q13255 7/20 0.56
TP53 P04637 2/20 0.55
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
GRM5 P41594 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL4167536 0.85 MAPT (0.64) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL1753561 0.85 MAPT (0.82) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL1753266 0.85 GRM1 (0.61) MAPTGRM1TP53SMN1; SMN2ALDH1A1
SCHEMBL1753205 0.85 MAPT (0.82) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL15694325 0.84 MAPT (0.63) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL13651645 0.83 MAPT (0.62) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL10316757 0.83 MAPT (0.52) MAPTGRM1RAB9AKDM4EALDH1A1
SCHEMBL4169176 0.83 MAPT (0.61) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL4159288 0.83 MAPT (0.64) MAPTGRM1TP53SMN1; SMN2KDM4E
SCHEMBL4169681 0.83 MAPT (0.61) MAPTGRM1TP53SMN1; SMN2KDM4E

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 9 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

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 MAPT 2577/4885GRM1 424/4885TP53 2988/4885

“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.