SCHEMBL904064

SCHEMBL904064

NCCCOCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.66
HSP90AB1 P08238 3/20 0.55
AVPR1B P47901 1/20 0.32
DHFR P00374 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL904241 0.93 HSP90AA1 (0.67) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL903928 0.91 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL15091218 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL10255525 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL904214 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL904176 0.90 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL10259843 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL10255169 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFRADORA2AADORA1
SCHEMBL901870 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1DHFRDPP8DPP7
Hydrochloric Acid SCHEMBL15091335 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1DHFR

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-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
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

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 2/4885AVPR1B 3756/4885

“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.