SCHEMBL4166791

SCHEMBL4166791

CN(C)C(=O)n1nc(-c2ccccc2)c2nc(-c3ccc(-c4ccc(N)nc4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.41
CYP1A2 P05177 6/20 0.41
CASP1 P29466 6/20 0.41
CASP7 P55210 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 5/20 0.41
HIF1A Q16665 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
AOC3 Q16853 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
BRCA1 P38398 1/20 0.35
HBB P68871 1/20 0.35
GAA P10253 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
SCHEMBL10317144 0.86 CYP1A2 (0.38) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL1689355 0.86 DHFR (0.41) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL4164714 0.81 ALDH1A1 (0.37) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL2116610 0.78 DHFR (0.43) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL4753665 0.72 MEN1 (0.36) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL10374263 0.71 ADORA3 (0.38) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL1753378 0.71 AKR1B10 (0.42) MEN1KMT2ALMNAALOX15MAPT
SCHEMBL1689035 0.71 DHFR (0.45) USP2CYP1A2CASP1CASP7ALDH1A1
SCHEMBL1689195 0.71 DHFR (0.42) MEN1KMT2ALMNAMAPTGAA
SCHEMBL4789078 0.71 MAPT (0.44) USP2CYP1A2CASP1CASP7ALDH1A1

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 10 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
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 USP2 3727/4885CYP1A2 337/4885CASP1 1407/4885

“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.