SCHEMBL1864503

SCHEMBL1864503

Nc1nc(F)nc2[nH]c(Cc3ccc4c(c3)OCO4)nc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.52
HSP90AA1 P07900 1/20 0.52
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MPO P05164 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA1 P30542 1/20 0.42
LTB4R Q15722 1/20 0.42
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.40
CHRM4 P08173 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL1669717 0.93 HSP90AA1 (0.45) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL14201605 0.88 MPO (0.47) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1670392 0.83 PDE2A (0.37) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL4017663 0.83 HSP90AB1 (0.39) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL4017667 0.83 HSP90AB1 (0.39) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1856028 0.81 HSP90AA1 (0.50) HSP90AB1HSP90AA1
SCHEMBL1864505 0.81 HSP90AB1 (0.50) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1864346 0.81 HSP90AA1 (0.50) HSP90AB1HSP90AA1MEN1KMT2A
SCHEMBL1670138 0.81 TP53 (0.41) ALDH1A1HSD17B10MPOADORA1LTB4R
SCHEMBL20860826 0.80 ALDH1A1 (0.41) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323965-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2021-10-21 US disclosed
US-20200385389-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2020-12-10 US disclosed
US-10676476-B2 Small-molecule HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2020-06-09 US disclosed
US-20190023708-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2019-01-24 US disclosed
US-10167285-B2 Small-molecule HSP90 inhibitors MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-01-01 US disclosed
US-10000494-B2 Small-molecule Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-06-19 US disclosed
US-20170342073-A1 SMALL-MOLECULE HSP90 INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER 2017-11-30 US disclosed
US-9701678-B2 Small-molecule HSP90 inhibitors MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-07-11 US disclosed
US-20160333014-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-11-17 US disclosed
US-9403828-B2 Small-molecule Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-08-02 US disclosed
US-20110312980-A1 Small-molecule Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
US-20110104054-A1 Small-Molecule HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-05 US disclosed
US-7834181-B2 Small-molecule Hsp90 inhibitors SLAON-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-16 US disclosed
EP-2074126-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-16 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
WO-2008049105-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 WO disclosed
WO-2006084030-A2 SMALL-MOLECULE HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-08-10 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 (12 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-20200385389-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-20170342073-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB2P, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885ALDH1A1 3456/4885
US-10000494-B2 Small-molecule Hsp90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-20110104054-A1 Small-Molecule HSP90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885ALDH1A1 4072/4885
US-20160333014-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885ALDH1A1 2092/4885
US-20190023708-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-10167285-B2 Small-molecule HSP90 inhibitors HSP90B1, HSP90AB2P, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885ALDH1A1 3575/4885
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885ALDH1A1 4107/4885
US-20210323965-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-10676476-B2 Small-molecule HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885
US-20110312980-A1 Small-molecule Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ALDH1A1 1848/4885

“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.