SCHEMBL16701384

SCHEMBL16701384

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.52
LCK P06239 1/20 0.51
KDR P35968 1/20 0.51
MAPK14 Q16539 1/20 0.51
DYRK1A Q13627 5/20 0.51
GSK3B P49841 4/20 0.51
CLK2 P49760 3/20 0.50
CLK3 P49761 3/20 0.50
WNT1 P04628 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL16712960 0.93 TRPV1 (0.52) TRPV1LCKKDRMAPK14DYRK1A
SCHEMBL16701473 0.90 ADORA3 (0.51) TRPV1LCKKDRMAPK14DYRK1A
SCHEMBL16701407 0.89 RAB9A (0.56) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701940 0.89 RAB9A (0.62) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16702122 0.89 SCN1A (0.57) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL23969958 0.88 DYRK1A (0.52) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701626 0.88 LCK (0.52) TRPV1LCKKDRMAPK14DYRK1A
SCHEMBL16701405 0.88 RAB9A (0.62) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701477 0.88 LCK (0.52) LCKKDRMAPK14DYRK1AGSK3B
SCHEMBL16701461 0.87 NPC1 (0.55) 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 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
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 TRPV1 3393/4885LCK 2492/4885KDR 3589/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TRPV1 3393/4885LCK 2492/4885KDR 3589/4885

“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.