SCHEMBL16701710

SCHEMBL16701710

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3N)ccc2OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.62
HSP90AB1 P08238 4/20 0.62
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.46
HDAC2 Q92769 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
PLAU P00749 3/20 0.44
PLG P00747 2/20 0.44
PLAT P00750 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KDR P35968 2/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
DHODH Q02127 2/20 0.42
WNT1 P04628 2/20 0.41
GSK3B P49841 2/20 0.41

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
SCHEMBL16702119 0.94 HSP90AA1 (0.65) HSP90AA1HSP90AB1MAPTSMN1; SMN2RECQL
SCHEMBL16702054 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1MAPTSMN1; SMN2RECQL
SCHEMBL16701628 0.91 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAPTSMN1; SMN2RECQL
SCHEMBL16702535 0.90 HSP90AA1 (0.61) HSP90AA1HSP90AB1ABCB1ABCC1HDAC2
SCHEMBL16701830 0.89 HSP90AA1 (0.61) HSP90AA1HSP90AB1SMN1; SMN2PLAUPLG
SCHEMBL16701388 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1PLAUPLGPLAT
SCHEMBL16701485 0.88 HSP90AA1 (0.60) HSP90AA1HSP90AB1ABCB1PLAUPLG
SCHEMBL16701809 0.88 HSP90AA1 (0.59) HSP90AA1HSP90AB1ABCB1ABCC1MAPT
SCHEMBL16701387 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1PLAUPLGPLAT
SCHEMBL16701550 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1SMN1; SMN2PLAUPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US 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 (2 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-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ABCB1 55/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ABCB1 55/4885

“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.