SCHEMBL1856030

SCHEMBL1856030

Nc1nc(F)nc2nc(Cc3cc4c(cc3I)OCO4)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.50
HSP90AB1 P08238 6/20 0.50
ERBB2 P04626 4/20 0.46
HSP90B1 P14625 2/20 0.31
TRAP1 Q12931 2/20 0.31
PNP P00491 1/20 0.31

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
SCHEMBL1864350 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL1860899 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL1864505 0.81 HSP90AB1 (0.50) HSP90AA1HSP90AB1
SCHEMBL1856028 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2
SCHEMBL1855723 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ERBB2
SCHEMBL1670297 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1ERBB2
SCHEMBL14222621 0.72 HSP90AA1 (0.41) HSP90AA1HSP90AB1ERBB2
SCHEMBL3465691 0.71 HSP90AB1 (0.40) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL14201606 0.69 HSP90AA1 (0.67) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL1669217 0.68 ERBB2 (0.39) HSP90AA1HSP90AB1ERBB2

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 17 patents. 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-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2014-08-14 US disclosed
US-8703942-B2 Small-molecule Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-04-22 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
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-16 US 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 HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-20170342073-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB2P, HSP90AB1 HSP90AA1 4/4885HSP90AB1 3/4885ERBB2 711/4885
US-10000494-B2 Small-molecule Hsp90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-20110104054-A1 Small-Molecule HSP90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ERBB2 297/4885
US-20160333014-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-20190023708-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-10167285-B2 Small-molecule HSP90 inhibitors HSP90B1, HSP90AB2P, HSP90AB1 HSP90AA1 4/4885HSP90AB1 3/4885ERBB2 764/4885
US-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 404/4885
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ERBB2 355/4885
US-20210323965-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-10676476-B2 Small-molecule HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885
US-20110312980-A1 Small-molecule Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885ERBB2 2127/4885

“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.