SCHEMBL4172932

SCHEMBL4172932

Nc1nccc(-c2ccc(-c3nc4c(nnn4-c4ccccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRKACA P17612 1/20 0.40
ADORA2A P29274 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
ROCK2 O75116 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
SCHEMBL1753289 0.83 MAPT (0.63) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL1689005 0.82 MAPT (0.57) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL1689185 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETP53RAB9A
SCHEMBL1689289 0.81 MAPT (0.48) ALDH1A1MAPTLMNATP53SMN1; SMN2
SCHEMBL1753368 0.80 MAPT (0.41) ALDH1A1MAPTKDM4ETP53RAB9A
SCHEMBL1688912 0.79 MAPT (0.42) ALDH1A1MAPTKDM4ETP53RAB9A
SCHEMBL14397097 0.79 MAPT (0.40) ALDH1A1MAPTLMNATP53RAB9A
SCHEMBL1688944 0.76 PKM (0.46) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL1689266 0.74 XDH (0.40) ALDH1A1MAPTLMNATP53RAB9A
SCHEMBL1753236 0.73 MAPT (0.67) ALDH1A1MAPTLMNATP53SMN1; 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 13 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
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP claimed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO 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
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 ALDH1A1 783/4885MAPT 2577/4885KDM4E 1045/4885

“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.