SCHEMBL643777

SCHEMBL643777

CCOC(=O)CCCCCCOc1cc(C(=O)OCC)c([N+](=O)[O-])cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.50
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL4340073 1.00 TNF (0.50) TNFPKMMEN1KMT2AMAPT
SCHEMBL641711 0.93 TNF (0.42) TNFPKMMEN1KMT2AMAPT
SCHEMBL4342538 0.93 TNF (0.42) TNFPKMMEN1KMT2AMAPT
SCHEMBL10118722 0.92 PKM (0.49) TNFPKMMEN1KMT2AMAPT
SCHEMBL18554121 0.91 TNF (0.50) TNFPKMMAPTHTTPOLB
SCHEMBL7719088 0.88 PKM (0.49) TNFPKMMEN1KMT2AMAPT
SCHEMBL14331200 0.87 TNF (0.52) TNFPKMMAPTHTTPOLB
SCHEMBL13168044 0.86 PKM (0.50) PKMMEN1KMT2AMAPTTHRB
SCHEMBL3515854 0.86 L3MBTL1 (0.45) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL3518722 0.86 L3MBTL1 (0.45) MEN1KMT2AMAPTL3MBTL1KDM4E

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 38 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-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 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-20140005391-A1 QUINAZOLINE BASED EGFR INHIBITORS CURIS, INC. (US) 2014-01-02 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
US-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-05-29 US disclosed
WO-2008033748-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 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 (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 TNF 3028/4885PKM 1377/4885MEN1 4869/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 TNF 3845/4885PKM 2604/4885MEN1 3710/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 TNF 4568/4885PKM 1411/4885MEN1 4732/4885
US-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety EGFR, ERBB2, ERBB4 TNF 4407/4885PKM 2923/4885MEN1 4320/4885
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 TNF 4146/4885PKM 1524/4885MEN1 4831/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 TNF 4544/4885PKM 1479/4885MEN1 4678/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 TNF 4467/4885PKM 1802/4885MEN1 4694/4885
US-20140005391-A1 QUINAZOLINE BASED EGFR INHIBITORS EGFR, ERBB2, ERBB4 TNF 4445/4885PKM 2232/4885MEN1 4412/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 TNF 4544/4885PKM 1479/4885MEN1 4678/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 TNF 4579/4885PKM 1477/4885MEN1 4711/4885

“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.