SCHEMBL16701461

SCHEMBL16701461

CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PTPN1 P18031 3/20 0.55
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
DYRK1A Q13627 5/20 0.52
GSK3B P49841 4/20 0.52
KDR P35968 2/20 0.51
LCK P06239 1/20 0.51
MAPK14 Q16539 1/20 0.51
CLK2 P49760 3/20 0.51
CLK3 P49761 3/20 0.51
WNT1 P04628 1/20 0.50
PGR P06401 1/20 0.50
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL16702122 0.96 SCN1A (0.57) NPC1RAB9APTPN1SCN1ASCN2A
SCHEMBL16701545 0.92 KDR (0.54) NPC1RAB9ASCN1ASCN2ASCN3A
SCHEMBL16701865 0.90 ADORA3 (0.58) NPC1RAB9ASCN1ASCN2ASCN3A
SCHEMBL16701407 0.89 RAB9A (0.56) NPC1RAB9ASCN1ASCN2ASCN3A
SCHEMBL16701940 0.89 RAB9A (0.62) NPC1RAB9ADYRK1AGSK3BKDR
SCHEMBL23969958 0.88 DYRK1A (0.52) NPC1RAB9ADYRK1AGSK3BKDR
SCHEMBL16701626 0.88 LCK (0.52) NPC1RAB9ADYRK1AGSK3BKDR
SCHEMBL16701405 0.88 RAB9A (0.62) NPC1RAB9ADYRK1AGSK3BKDR
SCHEMBL16701477 0.88 LCK (0.52) NPC1RAB9ADYRK1AGSK3BKDR
SCHEMBL16701562 0.88 RAB9A (0.61) NPC1RAB9ADYRK1AGSK3BKDR

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 NPC1 1414/4885RAB9A 2464/4885PTPN1 1245/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P NPC1 1414/4885RAB9A 2464/4885PTPN1 1245/4885

“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.