SCHEMBL641725

SCHEMBL641725

CCOC(=O)CCCCCCOc1cc2c(Cl)ncnc2cc1OCCOC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.53
TNF P01375 4/20 0.49
HDAC3 O15379 8/20 0.49
HDAC4 P56524 8/20 0.49
HDAC1 Q13547 8/20 0.49
HDAC7 Q8WUI4 8/20 0.49
HDAC2 Q92769 8/20 0.49
HDAC10 Q969S8 8/20 0.49
HDAC11 Q96DB2 8/20 0.49
HDAC8 Q9BY41 8/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC9 Q9UKV0 8/20 0.49
HDAC5 Q9UQL6 8/20 0.49
ERBB2 P04626 4/20 0.49
EGFR P00533 3/20 0.49
KDR P35968 8/20 0.44

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
SCHEMBL4337599 1.00 ENPP1 (0.53) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL4329011 0.93 ENPP1 (0.63) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL641754 0.93 ENPP1 (0.63) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL15953550 0.88 ENPP1 (0.66) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL17836941 0.88 ENPP1 (0.56) ENPP1HDAC3HDAC1HDAC6EGFR
SCHEMBL12518967 0.87 ENPP1 (0.46) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL3517589 0.86 HDAC3 (0.48) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL3518656 0.86 HDAC3 (0.48) ENPP1TNFHDAC3HDAC4HDAC1
SCHEMBL163465 0.81 ENPP1 (0.71) ENPP1EGFRKDR
SCHEMBL642824 0.80 TNF (0.50) TNFHDAC3HDAC4HDAC1HDAC7

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 30 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-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-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
US-8846912-B2 Tartrate salts of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2014-09-30 US disclosed
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-07 US disclosed
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-20130338167-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2013-12-19 US disclosed
US-8604044-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-12-10 US disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 US disclosed
WO-2009035718-A1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076022-A1 epidermal growth factor receptor tyrosine kinase (EGFR-TK) and histone deacetylase inhibitors such as 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide, used as anticarcinogenic agents CURIS, INC. 2009-03-19 US 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
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
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 (10 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-20090076022-A1 epidermal growth factor receptor tyrosine kinase (EGFR-TK) and histone deacetylase inhibitors such as 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide, used as anticarcinogenic agents EGFR, HDAC1, HDAC8 ENPP1 2467/4885TNF 3028/4885HDAC3 11/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ENPP1 1158/4885TNF 3845/4885HDAC3 7/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 ENPP1 2168/4885TNF 4568/4885HDAC3 17/4885
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 ENPP1 2950/4885TNF 4146/4885HDAC3 12/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ENPP1 1944/4885TNF 4544/4885HDAC3 19/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 ENPP1 3380/4885TNF 3801/4885HDAC3 12/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 ENPP1 2641/4885TNF 4467/4885HDAC3 15/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ENPP1 1944/4885TNF 4544/4885HDAC3 19/4885
US-20130338167-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ENPP1 1795/4885TNF 3160/4885HDAC3 19/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 ENPP1 2139/4885TNF 4579/4885HDAC3 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.