SCHEMBL4167536

SCHEMBL4167536

Nc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
GRM1 Q13255 8/20 0.59
TP53 P04637 2/20 0.58
GRM5 P41594 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.53
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL1753205 0.88 MAPT (0.82) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL1753561 0.88 MAPT (0.82) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL4169176 0.88 MAPT (0.61) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL15694325 0.88 MAPT (0.63) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL4163066 0.87 GRM1 (0.74) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL13651647 0.86 GRM1 (0.61) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL4170495 0.86 MAPT (0.64) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL4159288 0.86 MAPT (0.64) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL4169681 0.86 MAPT (0.61) MAPTGRM1TP53GRM5SMN1; SMN2
SCHEMBL13651682 0.85 GRM1 (0.63) MAPTGRM1TP53GRM5SMN1; SMN2

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
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
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO 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.