SCHEMBL902181

SCHEMBL902181

CC(C)(C)OC(=O)NCCC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.57
HSP90AB1 P08238 3/20 0.47
NAMPT P43490 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL904085 0.96 HSP90AA1 (0.56) HSP90AA1HSP90AB1NAMPTALOX5APFEN1
SCHEMBL902122 0.95 HSP90AA1 (0.55) HSP90AA1HSP90AB1NAMPTALOX5APFEN1
SCHEMBL901729 0.95 HSP90AA1 (0.54) HSP90AA1HSP90AB1NAMPTTDP1GBA1
SCHEMBL902435 0.91 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL904102 0.91 HSP90AA1 (0.56) HSP90AA1HSP90AB1NAMPTALOX5APFEN1
SCHEMBL901832 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1NAMPT
Hydrochloric Acid SCHEMBL901993 0.89 HSP90AA1 (0.63) HSP90AA1HSP90AB1NAMPT
SCHEMBL17416333 0.88 HSP90AA1 (0.54) HSP90AA1HSP90AB1TDP1
SCHEMBL902066 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL902048 0.88 HSP90AA1 (0.58) HSP90AA1HSP90AB1NAMPTALOX5APFEN1

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 5 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
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP 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 2/4885NAMPT 3292/4885

“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.