SCHEMBL12199679

SCHEMBL12199679

CCN(CCO)S(=O)(=O)c1ccc(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.57
HSP90AB1 P08238 3/20 0.49
ALOX5AP P20292 7/20 0.40
FEN1 P39748 7/20 0.40
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL2506106 0.92 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2512437 0.92 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL17387504 0.86 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL10254642 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1DHODH
SCHEMBL10254791 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1DHODH
SCHEMBL2338667 0.82 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL904215 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL10255141 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1DHODH
SCHEMBL12199622 0.80 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL904045 0.80 HSP90AA1 (0.81) HSP90AA1HSP90AB1DHODH

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 8 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-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
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.