SCHEMBL3085489

SCHEMBL3085489

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.76
HSP90AB1 P08238 4/20 0.76
DHFR P00374 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HPGD P15428 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39

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
SCHEMBL3093896 0.93 HSP90AA1 (0.70) HSP90AA1HSP90AB1DHFRSMN1; SMN2EGLN1
SCHEMBL3086700 0.92 HSP90AA1 (0.79) HSP90AA1HSP90AB1DHFRSMN1; SMN2HPGD
SCHEMBL3089542 0.91 HSP90AA1 (0.74) HSP90AA1HSP90AB1DHFRSMN1; SMN2EGLN1
SCHEMBL3098486 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGD
SCHEMBL3075220 0.89 HSP90AA1 (0.72) HSP90AA1HSP90AB1SMN1; SMN2HPGDKDM4E
SCHEMBL16628709 0.88 HSP90AA1 (0.80) HSP90AA1HSP90AB1SMN1; SMN2HPGDKDM4E
SCHEMBL3090578 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1DHFRSMN1; SMN2HPGD
SCHEMBL3093151 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL2509771 0.87 HSP90AA1 (0.74) HSP90AA1HSP90AB1SMN1; SMN2HPGDKDM4E
SCHEMBL13144976 0.87 HSP90AA1 (0.67) HSP90AA1HSP90AB1SMN1; SMN2HPGDKDM4E

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
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

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 1/4885DHFR 1480/4885

“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.