SCHEMBL3099210

SCHEMBL3099210

CCN(CC)C(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.54
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
CYP1A2 P05177 1/20 0.50
NUDT1 P36639 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.49
TSPO P30536 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3089782 0.92 ADORA3 (0.49) ADORA3ALDH1A1HPGDLMNAHSP90AA1
SCHEMBL13144396 0.91 ADORA3 (0.48) ADORA3ALDH1A1HPGDLMNAHSP90AA1
SCHEMBL3093854 0.91 TSHR (0.49) ADORA3LMNA
SCHEMBL13144440 0.90 ADORA3 (0.47) ADORA3ALDH1A1HPGDLMNAHSP90AA1
SCHEMBL13144391 0.88 HSP90AA1 (0.46) ADORA3ALDH1A1HPGDLMNAHSP90AA1
SCHEMBL3087920 0.87 ADORA3 (0.52) ADORA3ALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL3089581 0.84 HPGD (0.50) ALDH1A1HPGDLMNAHSP90AA1TSPO
SCHEMBL3096899 0.83 ADORA3 (0.49) ADORA3ALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL3075153 0.83 ADORA3 (0.57) ADORA3ALDH1A1HPGDLMNAHSP90AA1
SCHEMBL13144387 0.82 ADORA3 (0.52) ADORA3ALDH1A1HPGDHSP90AA1HSP90AB1

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 1776/4885HPGD 574/4885

“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.