SCHEMBL6182253

SCHEMBL6182253

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1N1CCN(C)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.73
RAF1 P04049 10/20 0.73
MAPK3 P27361 1/20 0.67
MAPK1 P28482 1/20 0.67
IGF1R P08069 1/20 0.61
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55

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
SCHEMBL25920182 0.87 MAP2K1 (0.85) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6382750 0.85 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL2975203 0.82 MAP2K1 (0.59) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6183229 0.82 MAP2K1 (0.57) MAP2K1RAF1MAPK3MAPK1
SCHEMBL2961276 0.81 MAP2K1 (0.58) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL5251276 0.81 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL31748812 0.80 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL346145 0.80 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL25920207 0.80 MAP2K1 (0.83) MAP2K1RAF1MAPK3MAPK1
SCHEMBL2975196 0.80 MAP2K1 (0.84) MAP2K1RAF1MAPK3MAPK1EGFR

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 300/4885RAF1 40/4885MAPK3 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.