SCHEMBL4177523

SCHEMBL4177523

CCOC(=O)c1ncn(-c2cccc(C#N)c2)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.43
ELANE P08246 3/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
GRM5 P41594 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL28682936 0.84 HTT (0.58) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1753102 0.82 ALDH1A1 (0.55) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4164814 0.81 ALDH1A1 (0.43) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4169657 0.79 PDE4B (0.55) ALDH1A1ELANE
SCHEMBL28704203 0.77 ALDH1A1 (0.53) GABRA2GABRG2GABRB3GABRA5KDM4E
SCHEMBL28703663 0.76 L3MBTL1 (0.51) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL28695056 0.76 GABRA2 (0.47) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31117196 0.76 HTT (0.72) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL4161763 0.76 HTT (0.72) KDM4EALDH1A1POLBHPGDHTT
SCHEMBL3833545 0.75 GRM5 (0.53) GABRA2KDM4EALDH1A1POLBELANE

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 8 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
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 GABRA2 303/4885GABRA1 211/4885GABRG2 194/4885

“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.