SCHEMBL3085598

SCHEMBL3085598

CN(C(=O)c1nc(N)nc2ccccc12)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ADORA3 P0DMS8 4/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
PTAFR P25105 1/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
NUDT1 P36639 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.45
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3094324 0.94 ADORA3 (0.50) HSP90AA1HSP90AB1ADORA3HPGDTSHR
SCHEMBL3075153 0.80 ADORA3 (0.57) HSP90AA1HSP90AB1ADORA3HPGDTSHR
SCHEMBL16628779 0.78 HSP90AA1 (0.47) HSP90AA1HSP90AB1ADORA3HPGDALDH1A1
SCHEMBL6991183 0.76 HPGD (0.51) HPGDTSHRPTAFRBACE1ALDH1A1
SCHEMBL9523939 0.76 HPGD (0.48) HPGDTSHRPTAFRBACE1ALDH1A1
SCHEMBL3094220 0.76 ADORA3 (0.54) HSP90AA1HSP90AB1ADORA3HPGDTSHR
SCHEMBL3087920 0.75 ADORA3 (0.52) HSP90AA1HSP90AB1ADORA3HPGDALDH1A1
SCHEMBL3086774 0.75 ADORA3 (0.52) HSP90AA1HSP90AB1ADORA3HPGDTSHR
SCHEMBL8133428 0.75 GBA1 (0.59) HPGDTSHRALDH1A1CYP1A2NUDT1
SCHEMBL1001922 0.75 HPGD (0.62) HPGDTSHRPTAFRALDH1A1NPC1

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 HSP90AA1 2/4885HSP90AB1 1/4885ADORA3 3301/4885

“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.