SCHEMBL642826

SCHEMBL642826

C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)CCCC(=O)NO)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 1.00
HDAC4 P56524 10/20 1.00
HDAC1 Q13547 10/20 1.00
HDAC7 Q8WUI4 10/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC10 Q969S8 10/20 1.00
HDAC11 Q96DB2 10/20 1.00
HDAC8 Q9BY41 10/20 1.00
HDAC6 Q9UBN7 10/20 1.00
HDAC9 Q9UKV0 10/20 1.00
HDAC5 Q9UQL6 10/20 1.00
ERBB2 P04626 7/20 0.95
EGFR P00533 14/20 0.78
GAK O14976 2/20 0.77
RIPK2 O43353 1/20 0.77
BUB1 O43683 1/20 0.77
STK10 O94804 1/20 0.77
ABL1 P00519 1/20 0.77
LCK P06239 1/20 0.77
LYN P07948 1/20 0.77

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
SCHEMBL641673 0.98 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL644748 0.97 ERBB2 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8215018 0.97 HDAC3 (0.93) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL643962 0.93 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8204231 0.92 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642739 0.92 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642966 0.91 ERBB2 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8213756 0.90 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8211780 0.90 ERBB2 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8204229 0.89 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2

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 57 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-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-8975401-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-03-10 US disclosed
US-8975401-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-03-10 US disclosed
EP-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed
EP-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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
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-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 (5 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HDAC3 7/4885HDAC4 5/4885HDAC1 1/4885
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 HDAC3 12/4885HDAC4 4/4885HDAC1 1/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 HDAC3 15/4885HDAC4 5/4885HDAC1 2/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 HDAC3 19/4885HDAC4 9/4885HDAC1 2/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 HDAC3 18/4885HDAC4 6/4885HDAC1 5/4885

“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.