SCHEMBL6182959

SCHEMBL6182959

CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OCCOC)CC1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.91
IGF1R P08069 11/20 0.91
MAPK3 P27361 1/20 0.78
MAPK1 P28482 1/20 0.78
MAP3K1 Q13233 1/20 0.78
IKBKB O14920 1/20 0.67
EGFR P00533 1/20 0.67
LYN P07948 1/20 0.67
SRC P12931 1/20 0.67
BRAF P15056 1/20 0.67
RPS6KB1 P23443 1/20 0.67
KDR P35968 1/20 0.67
PRKCQ Q04759 1/20 0.67
PDK1 Q15118 1/20 0.67

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
SCHEMBL6183526 0.90 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6184528 0.90 MAP2K1 (0.74) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6183043 0.88 IGF1R (0.79) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL344875 0.88 MAP2K1 (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2970786 0.87 IGF1R (0.76) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2972917 0.86 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4454660 0.85 MAP2K1 (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2969475 0.85 MAP2K1 (0.88) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4443456 0.85 IGF1R (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2961308 0.84 IGF1R (0.89) MAP2K1IGF1RMAPK3MAPK1MAP3K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP claimed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US claimed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US claimed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 WO claimed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP disclosed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US disclosed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 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-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 MAP2K1 300/4885IGF1R 2978/4885MAPK3 43/4885

“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.