SCHEMBL4131794

SCHEMBL4131794

COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCOC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 1.00
CDC37 Q16543 4/20 0.72
ERBB2 P04626 5/20 0.56
HSP90AB1 P08238 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
SCHEMBL14084832 0.90 HSP90AA1 (0.82) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL12454230 0.89 HSP90AA1 (0.80) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4138541 0.88 HSP90AA1 (0.78) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4133135 0.85 HSP90AA1 (1.00) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL5035160 0.85 ERBB2 (0.75) HSP90AA1ERBB2HSP90AB1
SCHEMBL4130514 0.85 HSP90AA1 (0.80) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4126711 0.85 HSP90AA1 (1.00) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4130050 0.84 HSP90AA1 (1.00) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4133631 0.83 HSP90AA1 (0.71) HSP90AA1CDC37ERBB2HSP90AB1
SCHEMBL4149901 0.82 HSP90AA1 (0.73) HSP90AA1CDC37ERBB2HSP90AB1

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 53 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
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-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-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 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-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2012-09-20 US disclosed
EP-2069324-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS Curis, Inc. (US) 2009-06-17 EP disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO 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 (6 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 4/4885CDC37 5/4885ERBB2 415/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885CDC37 5/4885ERBB2 415/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885CDC37 5/4885ERBB2 415/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885CDC37 5/4885ERBB2 415/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885CDC37 5/4885ERBB2 415/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885CDC37 5/4885ERBB2 415/4885

“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.