SCHEMBL3085406

SCHEMBL3085406

N#CCc1cccc(-c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.65
HSP90AB1 P08238 3/20 0.60
MGLL Q99685 1/20 0.46
BACE1 P56817 1/20 0.40
MMP3 P08254 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CNR1 P21554 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3093151 0.92 HSP90AA1 (0.67) HSP90AA1HSP90AB1MGLLCNR1
SCHEMBL3075220 0.88 HSP90AA1 (0.72) HSP90AA1HSP90AB1MGLLHPGDSMN1; SMN2
SCHEMBL3085489 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1HPGDSMN1; SMN2
SCHEMBL3086700 0.83 HSP90AA1 (0.79) HSP90AA1HSP90AB1HPGDSMN1; SMN2
SCHEMBL3089542 0.82 HSP90AA1 (0.74) HSP90AA1HSP90AB1MGLLHPGDSMN1; SMN2
SCHEMBL3086686 0.82 HSP90AA1 (0.71) HSP90AA1HSP90AB1MGLLHPGD
SCHEMBL3093896 0.80 HSP90AA1 (0.70) HSP90AA1HSP90AB1HPGDSMN1; SMN2
SCHEMBL3098486 0.79 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGD
SCHEMBL3090578 0.79 HSP90AA1 (0.76) HSP90AA1HSP90AB1HPGDSMN1; SMN2
SCHEMBL16628687 0.79 HSP90AA1 (0.71) HSP90AA1HSP90AB1SMN1; SMN2

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 1/4885MGLL 4433/4885

“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.