SCHEMBL902122

SCHEMBL902122

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.55
HSP90AB1 P08238 3/20 0.45
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
NAMPT P43490 2/20 0.38
GBA1 P04062 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL901729 0.99 HSP90AA1 (0.54) HSP90AA1HSP90AB1TPSAB1TPSD1TPSG1
SCHEMBL904085 0.98 HSP90AA1 (0.56) HSP90AA1HSP90AB1TPSAB1TPSD1TPSG1
SCHEMBL902181 0.95 HSP90AA1 (0.57) HSP90AA1HSP90AB1NAMPTGBA1TDP1
SCHEMBL901500 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1NAMPT
SCHEMBL904102 0.89 HSP90AA1 (0.56) HSP90AA1HSP90AB1NAMPTGBA1TDP1
SCHEMBL902209 0.89 HSP90AA1 (0.54) HSP90AA1HSP90AB1TDP1
SCHEMBL17416333 0.89 HSP90AA1 (0.54) HSP90AA1HSP90AB1TDP1
SCHEMBL902435 0.88 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL901870 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1NAMPT
SCHEMBL902377 0.87 HSP90AA1 (0.63) HSP90AA1HSP90AB1NAMPTGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP claimed
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP claimed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO claimed
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
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-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
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
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 2/4885TPSAB1 2854/4885

“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.