SCHEMBL16701902

SCHEMBL16701902

COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(NC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 2/20 0.53
CTNNB1 P35222 2/20 0.53
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52
KDR P35968 2/20 0.51
LCK P06239 1/20 0.51
MAPK14 Q16539 1/20 0.51
POLB P06746 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
MCHR1 Q99705 1/20 0.46
ABL1 P00519 2/20 0.45

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
SCHEMBL16701830 0.91 HSP90AA1 (0.61) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL16701388 0.91 HSP90AA1 (0.62) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL23970045 0.90 HSP90AA1 (0.56) BCL9CTNNB1HSP90AA1HSP90AB1KDR
SCHEMBL16701861 0.90 HSP90AA1 (0.61) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL16701401 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL16701670 0.90 MAPK14 (0.53) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL16701699 0.89 HSP90AA1 (0.57) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL16701378 0.89 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDRLCKMAPK14
SCHEMBL23970010 0.89 BCL9 (0.64) BCL9CTNNB1POLB
SCHEMBL16701479 0.88 MAPK14 (0.55) HSP90AA1HSP90AB1KDRLCKMAPK14

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-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

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 BCL9 467/4885CTNNB1 2815/4885HSP90AA1 2/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P BCL9 467/4885CTNNB1 2815/4885HSP90AA1 2/4885

“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.