SCHEMBL16701562

SCHEMBL16701562

CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
KDR P35968 2/20 0.56
LCK P06239 1/20 0.56
MAPK14 Q16539 1/20 0.56
PLAU P00749 5/20 0.55
DGAT1 O75907 1/20 0.53
DYRK1A Q13627 5/20 0.53
GSK3B P49841 4/20 0.53
WNT1 P04628 2/20 0.53
CLK2 P49760 2/20 0.53
CLK3 P49761 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL16712952 0.94 RAB9A (0.61) RAB9ANPC1CASP3SENP7KDR
SCHEMBL16712908 0.92 PLAU (0.54) RAB9ANPC1CASP3SENP7KDR
SCHEMBL16702122 0.89 SCN1A (0.57) RAB9ANPC1KDRLCKMAPK14
SCHEMBL16701461 0.88 NPC1 (0.55) RAB9ANPC1KDRLCKMAPK14
SCHEMBL16701927 0.87 KDR (0.59) RAB9ANPC1KDRLCKMAPK14
SCHEMBL23969927 0.87 KDR (0.54) KDRLCKMAPK14DYRK1AGSK3B
SCHEMBL16701545 0.87 KDR (0.54) RAB9ANPC1KDRLCKMAPK14
SCHEMBL16701542 0.86 KDR (0.56) KDRLCKMAPK14DYRK1AGSK3B
SCHEMBL23969918 0.86 KDR (0.62) RAB9ANPC1KDRLCKMAPK14
SCHEMBL16701630 0.85 UTS2R (0.55) RAB9ANPC1KDRLCKMAPK14

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2024-12-26 US disclosed
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
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 (3 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 RAB9A 2464/4885NPC1 1414/4885CASP3 3140/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 2464/4885NPC1 1414/4885CASP3 3140/4885
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF HSP90AB1, HSP90B1, HSP90AA1 RAB9A 1074/4885NPC1 63/4885CASP3 699/4885

“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.