Sugi Predict

Sugi Predict / Compounds / SCHEMBL642834

SCHEMBL642834

SCHEMBL642834

CC(=O)Oc1ccc2ncnc(N[C@H](C)c3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.64
▸ HDAC3 O15379 3/20 0.64
▸ HDAC4 P56524 3/20 0.64
▸ HDAC1 Q13547 3/20 0.64
▸ HDAC7 Q8WUI4 3/20 0.64
▸ HDAC2 Q92769 3/20 0.64
▸ HDAC10 Q969S8 3/20 0.64
▸ HDAC11 Q96DB2 3/20 0.64
▸ HDAC8 Q9BY41 3/20 0.64
▸ HDAC6 Q9UBN7 3/20 0.64
▸ HDAC9 Q9UKV0 3/20 0.64
▸ HDAC5 Q9UQL6 3/20 0.64
▸ GALR3 O60755 1/20 0.60
▸ NR2F2 P24468 1/20 0.60
▸ KRAS P01116 2/20 0.58
▸ SOS1 Q07889 1/20 0.58
▸ AURKA O14965 3/20 0.54
▸ RPS6KB1 P23443 3/20 0.54
▸ PIK3CA P42336 2/20 0.53
▸ LMNA P02545 1/20 0.52

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
SCHEMBL642835 1.00 EGFR (0.64) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5144877 0.81 EGFR (0.70) EGFRLMNAERBB2KDR
SCHEMBL644754 0.81 HDAC3 (0.84) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL644488 0.79 GALR3 (0.70) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL644489 0.79 GALR3 (0.70) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL27503639 0.79 EGFR (0.65) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL643000 0.79 HDAC3 (1.00) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL642999 0.79 HDAC3 (1.00) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8204463 0.79 HDAC3 (1.00) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL31505705 0.78 GALR3 (0.72) EGFRHDAC3HDAC4HDAC1HDAC7

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 24 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
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
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

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

For each of this compound's patents that has machine-readable text (12 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 EGFR 1/4885HDAC3 11/4885HDAC4 4/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885HDAC3 7/4885HDAC4 5/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 EGFR 1/4885HDAC3 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 EGFR 3/4885HDAC3 12/4885HDAC4 4/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 19/4885HDAC4 9/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 EGFR 4/4885HDAC3 12/4885HDAC4 5/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 EGFR 1/4885HDAC3 15/4885HDAC4 5/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 19/4885HDAC4 9/4885
US-20090209758-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 EGFR 1/4885HDAC3 15/4885HDAC4 5/4885
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 17/4885HDAC4 8/4885
US-20130338167-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 19/4885HDAC4 10/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 EGFR 1/4885HDAC3 18/4885HDAC4 6/4885

“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.