SCHEMBL904237

SCHEMBL904237

CC(C)(C)OC(=O)N(Cc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.63
HSP90AB1 P08238 4/20 0.50
GRM2 Q14416 1/20 0.38
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL904197 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALOX5APFEN1KDM4E
SCHEMBL10255660 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL904225 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALOX5APFEN1KDM4E
SCHEMBL904236 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1ADORA2AADORA1
Carbamic Acid SCHEMBL15891158 0.85 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALOX5APFEN1ADORA2A
SCHEMBL903968 0.85 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL15091481 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALOX5APFEN1ADORA2A
SCHEMBL901365 0.84 HSP90AA1 (0.66) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL10253669 0.83 HSP90AA1 (0.65) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL904127 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1ADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885GRM2 3237/4885

“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.