SCHEMBL4170495

SCHEMBL4170495

CSc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GRM1 Q13255 8/20 0.59
TP53 P04637 3/20 0.58
GRM5 P41594 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL10378407 0.91 MAPT (0.62) MAPTGRM1TP53GRM5THRB
SCHEMBL4167536 0.86 MAPT (0.64) MAPTGRM1TP53GRM5THRB
SCHEMBL1753205 0.85 MAPT (0.82) MAPTGRM1TP53GRM5THRB
SCHEMBL1753561 0.85 MAPT (0.82) MAPTGRM1TP53GRM5THRB
SCHEMBL13651646 0.85 MAPT (0.55) MAPTGRM1TP53GRM5THRB
SCHEMBL15694325 0.85 MAPT (0.63) MAPTGRM1TP53GRM5THRB
SCHEMBL4161840 0.85 MAPT (0.71) MAPTGRM1TP53GRM5THRB
SCHEMBL13651682 0.85 GRM1 (0.63) MAPTGRM1TP53GRM5THRB
SCHEMBL13651645 0.84 MAPT (0.62) MAPTGRM1TP53GRM5THRB
SCHEMBL4169176 0.84 MAPT (0.61) MAPTGRM1TP53GRM5THRB

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 7 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

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.