SCHEMBL16701477

SCHEMBL16701477

CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
DYRK1A Q13627 9/20 0.51
GSK3B P49841 8/20 0.51
CLK2 P49760 3/20 0.51
CLK3 P49761 3/20 0.51
WNT1 P04628 2/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 2/20 0.47

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
SCHEMBL16702122 0.90 SCN1A (0.57) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701940 0.90 RAB9A (0.62) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701407 0.90 RAB9A (0.56) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16702061 0.90 SMN1; SMN2 (0.54) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL23969958 0.89 DYRK1A (0.52) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701626 0.89 LCK (0.52) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701405 0.89 RAB9A (0.62) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701461 0.88 NPC1 (0.55) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701384 0.88 TRPV1 (0.52) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701719 0.86 MAPK14 (0.59) LCKKDRMAPK14DYRK1AGSK3B

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-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 LCK 2492/4885KDR 3589/4885MAPK14 2212/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P LCK 2492/4885KDR 3589/4885MAPK14 2212/4885

“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.