SCHEMBL3085053

SCHEMBL3085053

CN(C)C(=O)CCNC(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.55
ADORA2A P29274 9/20 0.51
ADORA1 P30542 7/20 0.51
ADORA2B P29275 1/20 0.51
NUDT1 P36639 2/20 0.50
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
APP P05067 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
SCHEMBL3087918 0.83 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2BNUDT1
SCHEMBL16628741 0.83 HTT (0.61) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3096053 0.81 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BHTT
SCHEMBL3081056 0.81 ADORA2A (0.70) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3087861 0.80 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2BNUDT1
SCHEMBL3094118 0.80 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3081770 0.80 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BHSP90AA1
SCHEMBL16628837 0.80 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL16628795 0.78 ADORA3 (0.66) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3076505 0.78 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2BAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ADORA3 3301/4885ADORA2A 4016/4885ADORA1 3386/4885

“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.