SCHEMBL901996

SCHEMBL901996

CCC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.66
HSP90AB1 P08238 4/20 0.55
DHFR P00374 2/20 0.34
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL902066 0.93 HSP90AA1 (0.67) HSP90AA1HSP90AB1DHFR
Hydrochloric Acid SCHEMBL15091516 0.92 HSP90AA1 (0.66) HSP90AA1HSP90AB1DHFR
SCHEMBL904184 0.92 HSP90AA1 (0.68) HSP90AA1HSP90AB1DHFRKDM4EHTT
SCHEMBL902130 0.91 HSP90AA1 (0.62) HSP90AA1HSP90AB1DHFRKDM4EHTT
SCHEMBL10255517 0.91 HSP90AA1 (0.66) HSP90AA1HSP90AB1DHFR
SCHEMBL10254685 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1DHFRKDM4EHTT
SCHEMBL904196 0.91 HSP90AA1 (0.67) HSP90AA1HSP90AB1DHFRKDM4EHTT
Hydrochloric Acid SCHEMBL15091333 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1DHFRKDM4EHTT
Hydrochloric Acid SCHEMBL15091270 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFR
SCHEMBL10255169 0.90 HSP90AA1 (0.65) 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 16 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
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US 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 2/4885DHFR 2936/4885

“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.