Sugi Predict

Sugi Predict / Compounds / SCHEMBL8216602

SCHEMBL8216602

SCHEMBL8216602

C#Cc1cc(Nc2ncnc3cc(OCCOC)c(OCCCCCCC(=O)NO)cc23)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 14/20 1.00
▸ HDAC3 O15379 16/20 0.89
▸ HDAC4 P56524 16/20 0.89
▸ HDAC1 Q13547 16/20 0.89
▸ HDAC7 Q8WUI4 16/20 0.89
▸ HDAC2 Q92769 16/20 0.89
▸ HDAC10 Q969S8 16/20 0.89
▸ HDAC11 Q96DB2 16/20 0.89
▸ HDAC8 Q9BY41 16/20 0.89
▸ HDAC6 Q9UBN7 16/20 0.89
▸ HDAC9 Q9UKV0 16/20 0.89
▸ HDAC5 Q9UQL6 16/20 0.89
▸ EGFR P00533 10/20 0.89
▸ KDR P35968 7/20 0.69
▸ GAK O14976 1/20 0.66
▸ RIPK2 O43353 1/20 0.66
▸ BUB1 O43683 1/20 0.66
▸ STK10 O94804 1/20 0.66
▸ ABL1 P00519 1/20 0.66
▸ LCK P06239 1/20 0.66

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
SCHEMBL642027 0.94 HDAC3 (1.00) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8211781 0.89 HDAC3 (0.83) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10118726 0.89 HDAC3 (0.89) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1507449 0.88 EGFR (0.80) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2615523 0.88 EGFR (0.80) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8212686 0.88 HDAC3 (1.00) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL642903 0.88 HDAC3 (1.00) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8205576 0.88 HDAC3 (1.00) ERBB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4739338 0.88 HDAC3 (1.00) ERBB2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1507642 0.87 EGFR (0.78) ERBB2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 — — 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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 ERBB2 7/4885HDAC3 11/4885HDAC4 4/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ERBB2 2794/4885HDAC3 7/4885HDAC4 5/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 ERBB2 7/4885HDAC3 17/4885HDAC4 6/4885
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 ERBB2 9/4885HDAC3 12/4885HDAC4 4/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 ERBB2 13/4885HDAC3 12/4885HDAC4 5/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 ERBB2 9/4885HDAC3 15/4885HDAC4 5/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ERBB2 5/4885HDAC3 19/4885HDAC4 9/4885
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 ERBB2 6/4885HDAC3 17/4885HDAC4 8/4885

“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.