SCHEMBL642892

SCHEMBL642892

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 1.00
EGFR P00533 9/20 1.00
HDAC3 O15379 17/20 0.95
HDAC4 P56524 17/20 0.95
HDAC1 Q13547 17/20 0.95
HDAC7 Q8WUI4 17/20 0.95
HDAC2 Q92769 17/20 0.95
HDAC10 Q969S8 17/20 0.95
HDAC11 Q96DB2 17/20 0.95
HDAC8 Q9BY41 17/20 0.95
HDAC6 Q9UBN7 17/20 0.95
HDAC9 Q9UKV0 17/20 0.95
HDAC5 Q9UQL6 17/20 0.95
KDR P35968 7/20 0.93

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
SCHEMBL8212704 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8212178 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL4741623 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8212677 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL641676 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL4567201 0.97 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8203971 0.96 HDAC3 (1.00) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8205069 0.94 HDAC3 (0.93) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8212938 0.94 EGFR (0.88) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL8205595 0.91 HDAC3 (0.98) ERBB2EGFRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-8975401-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-03-10 US disclosed
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent CURIS, INC. 2008-08-14 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 US disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 US disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 US disclosed
WO-2008033749-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033749-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (4 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-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent HDAC1, HDAC8, EGFR ERBB2 9/4885EGFR 3/4885HDAC3 12/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 ERBB2 9/4885EGFR 1/4885HDAC3 15/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ERBB2 5/4885EGFR 1/4885HDAC3 19/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 ERBB2 7/4885EGFR 1/4885HDAC3 18/4885

“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.