SCHEMBL4347916

SCHEMBL4347916

C#Cc1cccc(Nc2ncnc3cc(OCCCCCCC(=O)OCC)c(OCCOC)cc23)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 0.80
EGFR P00533 15/20 0.75
GAK O14976 3/20 0.75
RIPK2 O43353 2/20 0.75
BUB1 O43683 2/20 0.75
STK10 O94804 2/20 0.75
ABL1 P00519 2/20 0.75
LCK P06239 2/20 0.75
LYN P07948 2/20 0.75
RET P07949 2/20 0.75
SRC P12931 2/20 0.75
FGFR2 P21802 2/20 0.75
FECH P22830 2/20 0.75
KDR P35968 2/20 0.75
FLT3 P36888 2/20 0.75
MAP3K1 Q13233 2/20 0.75
PLK4 O00444 1/20 0.75
CIT O14578 1/20 0.75
AURKA O14965 1/20 0.75
EPHB6 O15197 1/20 0.75

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
SCHEMBL642967 1.00 ERBB2 (0.80) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL642902 0.94 EGFR (0.79) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL643068 0.94 EGFR (0.79) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL4412308 0.94 EGFR (0.79) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL643681 0.91 HDAC3 (0.79) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL12518963 0.90 EGFR (0.66) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL8209586 0.89 ERBB2 (1.00) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL8205021 0.89 ERBB2 (1.00) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL4893540 0.89 ERBB2 (1.00) ERBB2EGFRGAKRIPK2BUB1
SCHEMBL641997 0.89 ERBB2 (1.00) ERBB2EGFRGAKRIPK2BUB1

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 11 patents. 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-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-07 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
EP-2061773-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 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
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO 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 (4 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 ERBB2 2794/4885EGFR 2358/4885GAK 215/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 ERBB2 7/4885EGFR 1/4885GAK 179/4885
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 9/4885EGFR 3/4885GAK 105/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 ERBB2 7/4885EGFR 1/4885GAK 170/4885

“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.