SCHEMBL644488

SCHEMBL644488

C[C@@H](Nc1ncnc2ccc(O)cc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.70
NR2F2 P24468 1/20 0.70
EGFR P00533 14/20 0.63
KRAS P01116 1/20 0.63
SOS1 Q07889 1/20 0.63
LMNA P02545 1/20 0.58
DYRK1A Q13627 2/20 0.56
PIK3CA P42336 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
TNF P01375 1/20 0.53

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
SCHEMBL644489 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505705 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505701 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13283262 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL24576524 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL9921344 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL6992336 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505709 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL24577013 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13170943 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1

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-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-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
EP-2061773-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 EP 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
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 (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 GALR3 3092/4885NR2F2 957/4885EGFR 1/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 GALR3 3806/4885NR2F2 1149/4885EGFR 2358/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 GALR3 2838/4885NR2F2 732/4885EGFR 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 GALR3 3721/4885NR2F2 838/4885EGFR 3/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 GALR3 3171/4885NR2F2 709/4885EGFR 1/4885
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 GALR3 2448/4885NR2F2 1368/4885EGFR 4/4885
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 GALR3 2922/4885NR2F2 884/4885EGFR 1/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 GALR3 3171/4885NR2F2 709/4885EGFR 1/4885
US-20090209758-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 GALR3 2922/4885NR2F2 884/4885EGFR 1/4885
US-20130338167-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 GALR3 3158/4885NR2F2 897/4885EGFR 1/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 GALR3 2839/4885NR2F2 718/4885EGFR 1/4885

“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.