SCHEMBL3094124

SCHEMBL3094124

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.48
NUDT1 P36639 3/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ELANE P08246 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 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
SCHEMBL3096062 0.92 ADORA3 (0.50) ADORA3NUDT1CYP1A2HPGDCYP3A4
SCHEMBL16628740 0.87 ADORA3 (0.50) ADORA3NUDT1CYP1A2HPGDHSP90AA1
SCHEMBL3087920 0.87 ADORA3 (0.52) ADORA3NUDT1CYP1A2HPGDHSP90AA1
SCHEMBL13144845 0.84 HSP90AA1 (0.48) ADORA3CYP3A4CYP2D6HSP90AA1ALDH1A1
SCHEMBL16628723 0.84 ADORA3 (0.51) ADORA3NUDT1CYP1A2HPGDCYP3A4
SCHEMBL13961321 0.83 CSNK2A2 (0.40) CYP1A2HPGDGAATSHRCYP3A4
SCHEMBL3093656 0.82 KMT2A (0.54) ADORA3NUDT1CYP1A2HPGDTSHR
SCHEMBL3081057 0.82 CYP3A4 (0.53) ADORA3CYP3A4CYP2D6
SCHEMBL3075153 0.81 ADORA3 (0.57) ADORA3NUDT1CYP1A2HPGDTSHR
SCHEMBL3089782 0.81 ADORA3 (0.49) ADORA3NUDT1CYP1A2HPGDHSP90AA1

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 3301/4885NUDT1 3459/4885CYP1A2 853/4885

“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.