SCHEMBL3075153

SCHEMBL3075153

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.57
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 4/20 0.54
NUDT1 P36639 3/20 0.54
CYP1A2 P05177 3/20 0.54
HPGD P15428 2/20 0.54
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
TP53 P04637 4/20 0.50
CYP3A4 P08684 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DCPS Q96C86 1/20 0.49
USP2 O75604 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3094220 0.86 ADORA3 (0.54) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3087920 0.85 ADORA3 (0.52) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3086774 0.85 ADORA3 (0.52) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3088200 0.84 NUDT1 (0.53) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3099210 0.83 ADORA3 (0.54) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3096062 0.83 ADORA3 (0.50) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3094324 0.83 ADORA3 (0.50) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL16628740 0.83 ADORA3 (0.50) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2
SCHEMBL3081057 0.83 CYP3A4 (0.53) ADORA3CYP3A4MEN1CYP2D6KMT2A
SCHEMBL3081772 0.82 ADORA3 (0.49) ADORA3ALDH1A1HSD17B10NUDT1CYP1A2

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 4 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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP 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 3301/4885ALDH1A1 1776/4885HSD17B10 2252/4885

“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.