SCHEMBL3075260

SCHEMBL3075260

CNC(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.70
HSD17B10 Q99714 2/20 0.54
NUDT1 P36639 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
ADORA2A P29274 3/20 0.52
ADORA1 P30542 2/20 0.52
ADORA2B P29275 1/20 0.52
DCPS Q96C86 1/20 0.49
APP P05067 2/20 0.46
YTHDC1 Q96MU7 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLK1 P53350 1/20 0.44

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
SCHEMBL3099398 0.83 ADORA3 (0.65) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3087861 0.83 ADORA3 (0.65) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3086622 0.83 ADORA3 (1.00) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL31061422 0.83 ADORA3 (1.00) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3088381 0.81 ADORA3 (0.66) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3087918 0.81 ADORA3 (0.62) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3096895 0.81 ADORA3 (0.62) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL28293697 0.81 ADORA3 (0.61) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2
SCHEMBL3076505 0.80 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2BAPP
SCHEMBL3086772 0.80 ADORA3 (0.60) ADORA3HSD17B10NUDT1ALDH1A1CYP1A2

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
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
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
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ADORA3 3301/4885HSD17B10 2252/4885NUDT1 3459/4885

“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.