SCHEMBL903928

SCHEMBL903928

CN(C)CCCOCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.62
HSP90AB1 P08238 3/20 0.51
HSP90B1 P14625 3/20 0.36
TRAP1 Q12931 3/20 0.36
ATM Q13315 5/20 0.33
PIK3CA P42336 4/20 0.33
MTOR P42345 4/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 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
SCHEMBL904176 0.95 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1WNT1
SCHEMBL904064 0.91 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL904241 0.89 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL10263316 0.89 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL902130 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSP90B1TRAP1WNT1
SCHEMBL15091218 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL904214 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL10255525 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL902021 0.87 HSP90AA1 (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1
Hydrochloric Acid SCHEMBL901489 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSP90B1TRAP1

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 9 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
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US claimed
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 2/4885HSP90B1 1/4885

“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.