SCHEMBL4963012

SCHEMBL4963012

COc1cc(Nc2c(C#N)cnc3cc(C#CCCN4CCOCC4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
EGFR P00533 2/20 0.85
ABL1 P00519 2/20 0.75
BCR P11274 1/20 0.75
ERBB2 P04626 1/20 0.71
FYN P06241 1/20 0.71
LYN P07948 1/20 0.71

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
SCHEMBL3218806 0.92 SRC (0.85) SRCEGFRABL1BCRERBB2
SCHEMBL29385888 0.92 SRC (1.00) SRCEGFRABL1BCRERBB2
SCHEMBL4961809 0.92 SRC (1.00) SRCEGFRABL1BCRERBB2
SCHEMBL4963092 0.91 SRC (1.00) SRCEGFRABL1BCRERBB2
SCHEMBL4963122 0.88 SRC (1.00) SRCEGFRABL1BCRERBB2
SCHEMBL6184535 0.84 SRC (0.80) SRCEGFRABL1BCRERBB2
SCHEMBL6184821 0.84 SRC (0.87) SRCEGFRABL1BCRERBB2
SCHEMBL6184034 0.84 SRC (0.92) SRCEGFRABL1BCRERBB2
SCHEMBL4962546 0.84 SRC (0.81) SRCEGFRABL1BCR
SCHEMBL4123796 0.83 SRC (1.00) SRCEGFRABL1BCRERBB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802581-B1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH CORP (US) 2008-04-02 EP claimed
EP-1802581-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP claimed
US-20060116375-A1 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-alkoxy-7-ethynyl-3-quinolinecarbonitriles for the treatment of ischemic injury WYETH (US) 2006-06-01 US claimed
WO-2006047262-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2006-05-04 WO claimed
EP-1802581-B1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH CORP (US) 2008-04-02 EP disclosed
EP-1802581-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
US-20060116375-A1 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-alkoxy-7-ethynyl-3-quinolinecarbonitriles for the treatment of ischemic injury WYETH (US) 2006-06-01 US disclosed
WO-2006047262-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2006-05-04 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 (1 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-20060116375-A1 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-alkoxy-7-ethynyl-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, SUCNR1, EDNRA SRC 3051/4885EGFR 2535/4885ABL1 1190/4885

“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.