SCHEMBL3093151

SCHEMBL3093151

N#CCc1ccc(-c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.67
HSP90AB1 P08238 4/20 0.62
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
MGLL Q99685 1/20 0.40
CNR1 P21554 3/20 0.39
KDM5B Q9UGL1 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
SCHEMBL3085406 0.92 HSP90AA1 (0.65) HSP90AA1HSP90AB1MGLLCNR1
SCHEMBL3089542 0.88 HSP90AA1 (0.74) HSP90AA1HSP90AB1MGLL
SCHEMBL3085489 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL3093896 0.83 HSP90AA1 (0.70) HSP90AA1HSP90AB1PIK3CA
SCHEMBL3086686 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1MGLL
SCHEMBL3075220 0.82 HSP90AA1 (0.72) HSP90AA1HSP90AB1MGLL
SCHEMBL13180105 0.81 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3090578 0.81 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL3086700 0.81 HSP90AA1 (0.79) HSP90AA1HSP90AB1PIK3CAPIK3CG
SCHEMBL16628687 0.80 HSP90AA1 (0.71) HSP90AA1HSP90AB1

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 3 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

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 1/4885PIK3CA 3835/4885

“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.