SCHEMBL1790263

SCHEMBL1790263

COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
EPHA2 P29317 19/20 1.00
EPHB4 P54760 15/20 1.00
ERBB2 P04626 12/20 1.00
FLT1 P17948 8/20 1.00
GAK O14976 1/20 0.75
EPHB6 O15197 1/20 0.75
RIPK2 O43353 1/20 0.75
STK10 O94804 1/20 0.75
MAP4K4 O95819 1/20 0.75
ABL1 P00519 1/20 0.75
EGFR P00533 1/20 0.75
LCK P06239 1/20 0.75
YES1 P07947 1/20 0.75
LYN P07948 1/20 0.75
RET P07949 1/20 0.75
HCK P08631 1/20 0.75
BCR P11274 1/20 0.75
SRC P12931 1/20 0.75
EPHA1 P21709 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
SCHEMBL1791602 1.00 KDR (1.00) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL4383978 1.00 KDR (1.00) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL3830404 1.00 KDR (1.00) KDREPHA2EPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL1225046 0.99 KDR (0.98) KDREPHA2EPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL1225044 0.99 KDR (0.98) KDREPHA2EPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL907091 0.99 KDR (0.98) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL907745 0.93 EPHA2 (1.00) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL907749 0.93 EPHA2 (1.00) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL907747 0.93 EPHA2 (1.00) KDREPHA2EPHB4ERBB2FLT1
SCHEMBL3029738 0.93 EPHA2 (1.00) KDREPHA2EPHB4ERBB2FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 EP claimed
US-8658654-B2 Receptor-type kinase modulators and methods of use SYMPHONY EVOLUTION, INC. (US) 2014-02-25 US claimed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US claimed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 US claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 EP disclosed
US-9796704-B2 Substituted quinazolines as receptor-type kinase inhibitors SYMPHONY EVOLUTION, INC. (US) 2017-10-24 US disclosed
US-9359332-B2 Processes for the preparation of substituted quinazolines SYMPHONY EVOLUTION, INC. (US) 2016-06-07 US disclosed
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2016-05-12 US disclosed
US-9163006-B2 2015-10-20 US disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US disclosed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 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 (6 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-20060069077-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 KDR 17/4885EPHA2 2/4885EPHB4 16/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K KDR 2390/4885EPHA2 2745/4885EPHB4 2878/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K KDR 3082/4885EPHA2 2557/4885EPHB4 2530/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 KDR 17/4885EPHA2 2/4885EPHB4 16/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS KDR 1023/4885EPHA2 977/4885EPHB4 1441/4885
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 KDR 17/4885EPHA2 2/4885EPHB4 16/4885

“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.