SCHEMBL2338667

SCHEMBL2338667

CN(CCO)S(=O)(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.65
HSP90AB1 P08238 3/20 0.54
ALOX5AP P20292 5/20 0.39
FEN1 P39748 5/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
AURKB Q96GD4 1/20 0.35
AURKAIP1 Q9NWT8 1/20 0.35

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
SCHEMBL13144900 0.93 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL2510646 0.91 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL2512437 0.90 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL12199666 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL2512175 0.88 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL2512041 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL17387504 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALOX5APFEN1HPGD
SCHEMBL2338324 0.86 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL17387534 0.86 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALOX5APFEN1F10
SCHEMBL12199704 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALOX5APFEN1F10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP claimed
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
EP-2356110-A1 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2011-08-17 EP disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 WO disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 WO 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-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885ALOX5AP 4608/4885

“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.