SCHEMBL4994869

SCHEMBL4994869

CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)nccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 1.00
HSP90B1 P14625 2/20 1.00
ERBB2 P04626 1/20 0.75
HSP90AB1 P08238 1/20 0.75
TRAP1 Q12931 1/20 0.75
CDC37 Q16543 1/20 0.73

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
SCHEMBL18431832 0.95 HSP90AA1 (0.90) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL1743323 0.95 HSP90AA1 (1.00) HSP90AA1HSP90B1CDC37
SCHEMBL4139422 0.92 HSP90AA1 (1.00) HSP90AA1HSP90B1CDC37
SCHEMBL15980439 0.91 HSP90AA1 (0.83) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL15980522 0.90 HSP90AA1 (0.81) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL15980541 0.90 HSP90AA1 (0.81) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL17449251 0.90 HSP90AA1 (0.81) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL4135031 0.90 HSP90AA1 (1.00) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1
SCHEMBL20725179 0.89 HSP90AA1 (0.81) HSP90AA1HSP90B1CDC37
SCHEMBL12522859 0.89 HSP90AA1 (0.80) HSP90AA1HSP90B1ERBB2HSP90AB1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
WO-2023006993-A1 FUSED AMINO PYRIDINE OR PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CONGENITAL CENTRAL HYPOVENTILATION SYNDROME ATMOSR (FR) 2023-02-02 WO disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-20210308285-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-10-07 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-11065350-B2 HSP90-targeted inflammation and infection imaging and therapy MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-07-20 US disclosed
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2021-05-13 US disclosed
US-8586605-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2013-11-19 US disclosed
EP-2069324-B1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2013-07-31 EP disclosed
US-8324240-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2012-12-04 US disclosed
US-8324240-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2012-12-04 US disclosed
US-8324240-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2012-12-04 US disclosed
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2012-09-20 US disclosed
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2012-09-20 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 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 (8 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-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90B1 1/4885ERBB2 415/4885
US-11065350-B2 HSP90-targeted inflammation and infection imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90B1 3/4885ERBB2 79/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90B1 1/4885ERBB2 415/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90B1 1/4885ERBB2 415/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90B1 1/4885ERBB2 415/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90B1 1/4885ERBB2 415/4885
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90B1 2/4885ERBB2 711/4885
US-20210308285-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90B1 3/4885ERBB2 79/4885

“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.