Sugi Predict

Sugi Predict / Compounds / SCHEMBL644747

SCHEMBL644747

SCHEMBL644747

C#Cc1cccc(Nc2ncnc3cc(OC)c(C(CCCCCC(=O)NO)C(N)=O)cc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 13/20 0.73
▸ HDAC4 P56524 13/20 0.73
▸ HDAC1 Q13547 13/20 0.73
▸ HDAC7 Q8WUI4 13/20 0.73
▸ HDAC2 Q92769 13/20 0.73
▸ HDAC10 Q969S8 13/20 0.73
▸ HDAC11 Q96DB2 13/20 0.73
▸ HDAC8 Q9BY41 13/20 0.73
▸ HDAC6 Q9UBN7 13/20 0.73
▸ HDAC9 Q9UKV0 13/20 0.73
▸ HDAC5 Q9UQL6 13/20 0.73
▸ EGFR P00533 10/20 0.73
▸ ERBB2 P04626 8/20 0.73
▸ KDR P35968 5/20 0.73
▸ GAK O14976 2/20 0.73
▸ RIPK2 O43353 1/20 0.73
▸ BUB1 O43683 1/20 0.73
▸ STK10 O94804 1/20 0.73
▸ ABL1 P00519 1/20 0.73
▸ LCK P06239 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
SCHEMBL641672 0.97 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642825 0.94 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641667 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4740600 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL29379912 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL29350202 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Cudc-101 SCHEMBL93769 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8212688 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL644748 0.84 ERBB2 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL643712 0.84 HDAC3 (1.00) 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 21 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-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-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
US-8518910-B2 Formulation of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-08-27 — — US disclosed
US-8455506-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-06-04 — — US disclosed
US-8119616-B2 Formulation of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2012-02-21 — — US disclosed
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CAI XIONG 2011-03-03 — — US disclosed
US-7846938-B2 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. (US) 2010-12-07 — — US disclosed
US-20090209758-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY QIAN CHANGGENG 2009-08-20 — — US disclosed
US-7547781-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2009-06-16 — — US disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 — — US 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
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 — — 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 (11 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 HDAC3 11/4885HDAC4 4/4885HDAC1 2/4885
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-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 HDAC3 19/4885HDAC4 9/4885HDAC1 2/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 HDAC3 12/4885HDAC4 5/4885HDAC1 3/4885
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-20090209758-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 HDAC3 15/4885HDAC4 5/4885HDAC1 2/4885
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 HDAC3 17/4885HDAC4 8/4885HDAC1 2/4885
US-20130338167-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 HDAC3 19/4885HDAC4 10/4885HDAC1 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.