SCHEMBL1864541

SCHEMBL1864541

C#CCCCn1c(Cc2cc(OC)c(OC)cc2Cl)nc2c(N)nc(F)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 1.00
HSP90AB1 P08238 16/20 1.00
ERBB2 P04626 7/20 1.00
HSP90B1 P14625 2/20 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
SCHEMBL1864700 0.89 HSP90AA1 (0.80) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1859519 0.89 HSP90AA1 (0.80) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL2604977 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL10149974 0.87 HSP90AA1 (0.87) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL23819778 0.85 HSP90AA1 (0.81) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1964321 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL30583135 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL4854328 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2
SCHEMBL1864363 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1965553 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1ERBB2HSP90B1

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.