SCHEMBL907745

SCHEMBL907745

COc1cc2c(Nc3ccc(Br)c(Cl)c3F)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
EPHA2 P29317 20/20 1.00
KDR P35968 20/20 1.00
EPHB4 P54760 17/20 1.00
ERBB2 P04626 12/20 1.00
FLT1 P17948 10/20 1.00
GAK O14976 1/20 0.85
EPHB6 O15197 1/20 0.85
RIPK2 O43353 1/20 0.85
STK10 O94804 1/20 0.85
MAP4K4 O95819 1/20 0.85
ABL1 P00519 1/20 0.85
EGFR P00533 1/20 0.85
LCK P06239 1/20 0.85
YES1 P07947 1/20 0.85
LYN P07948 1/20 0.85
RET P07949 1/20 0.85
HCK P08631 1/20 0.85
BCR P11274 1/20 0.85
SRC P12931 1/20 0.85
EPHA1 P21709 1/20 0.85

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
SCHEMBL907747 1.00 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL3627785 1.00 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907749 1.00 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL3029738 1.00 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL906932 0.99 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL906933 0.99 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
Hydrochloric Acid SCHEMBL906931 0.99 EPHA2 (0.98) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL4564828 0.93 EPHA2 (0.90) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1790263 0.93 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL4383978 0.93 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed
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-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 US claimed
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof SYMPHONY EVOLUTION, INC. (US) 2019-04-23 US disclosed
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-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 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 (7 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 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof EGFR, ERBB4, ERBB3 EPHA2 4/4885KDR 16/4885EPHB4 17/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K EPHA2 2745/4885KDR 2390/4885EPHB4 2878/4885
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD EPHA2 1869/4885KDR 1560/4885EPHB4 1743/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS EPHA2 977/4885KDR 1023/4885EPHB4 1441/4885

“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.