SCHEMBL3094007

SCHEMBL3094007

CCCc1ccc2nc(N)nc(C(=O)N3Cc4ccc(O)cc4C3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.73
HSP90AB1 P08238 3/20 0.67
MAOB P27338 1/20 0.41
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL3089971 0.92 HSP90AA1 (0.76) HSP90AA1HSP90AB1MAOB
SCHEMBL16628727 0.90 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL3088591 0.89 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3096577 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAOB
SCHEMBL1768003 0.82 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL3075275 0.82 HSP90AA1 (0.76) HSP90AA1HSP90AB1MAOB
SCHEMBL16628749 0.81 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3099258 0.81 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL3087837 0.81 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL16628713 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAOB

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 1/4885MAOB 3029/4885

“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.