SCHEMBL4961809

SCHEMBL4961809

COc1cc(Nc2c(C#N)cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
EGFR P00533 3/20 1.00
ABL1 P00519 3/20 0.74
BCR P11274 2/20 0.74
KCNH2 Q12809 2/20 0.74
STK25 O00506 1/20 0.74
CIT O14578 1/20 0.74
RIOK3 O14730 1/20 0.74
MAP2K7 O14733 1/20 0.74
CHEK1 O14757 1/20 0.74
CASK O14936 1/20 0.74
GAK O14976 1/20 0.74
EPHB6 O15197 1/20 0.74
MAP3K13 O43283 1/20 0.74
MAP3K7 O43318 1/20 0.74
RIPK2 O43353 1/20 0.74
NUAK1 O60285 1/20 0.74
JAK2 O60674 1/20 0.74
ROCK2 O75116 1/20 0.74
ULK1 O75385 1/20 0.74

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
SCHEMBL29385888 1.00 SRC (1.00) SRCEGFRABL1BCRKCNH2
SCHEMBL4963122 0.95 SRC (1.00) SRCEGFRABL1BCRKCNH2
SCHEMBL4963092 0.92 SRC (1.00) SRCEGFRABL1BCRKCNH2
SCHEMBL4963012 0.92 SRC (1.00) SRCEGFRABL1BCRERBB2
SCHEMBL677073 0.86 SRC (0.92) SRCEGFRABL1BCRKCNH2
SCHEMBL30453317 0.86 SRC (0.92) SRCEGFRABL1BCRKCNH2
SCHEMBL4962546 0.86 SRC (0.81) SRCEGFRABL1BCR
SCHEMBL12907725 0.85 SRC (0.75) SRCEGFRABL1BCRKCNH2
Bosutinib SCHEMBL29350234 0.85 SRC (1.00) SRCEGFRABL1BCRKCNH2
Bosutinib SCHEMBL19207253 0.85 SRC (1.00) SRCEGFRABL1BCRKCNH2

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.