SCHEMBL16701545

SCHEMBL16701545

CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc(-c5ccccc5)c4)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
DYRK1A Q13627 6/20 0.52
GSK3B P49841 5/20 0.52
LCK P06239 1/20 0.52
MAPK14 Q16539 1/20 0.52
PLAU P00749 4/20 0.52
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
WNT1 P04628 2/20 0.51
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL16701461 0.92 NPC1 (0.55) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL16701805 0.92 PLAU (0.61) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL16701865 0.92 ADORA3 (0.58) KDRDYRK1AGSK3BCLK2CLK3
SCHEMBL16702122 0.91 SCN1A (0.57) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL23969927 0.89 KDR (0.54) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL16701482 0.88 NPC1 (0.57) KDRDYRK1AGSK3BPLAUMEN1
SCHEMBL16701711 0.88 KDR (0.53) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL16701562 0.87 RAB9A (0.61) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL23969977 0.87 KDR (0.52) KDRDYRK1AGSK3BLCKMAPK14
SCHEMBL23969974 0.87 DYRK1A (0.49) KDRDYRK1AGSK3BLCKMAPK14

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
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 KDR 3589/4885DYRK1A 2385/4885GSK3B 1960/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P KDR 3589/4885DYRK1A 2385/4885GSK3B 1960/4885

“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.