SCHEMBL6185084

SCHEMBL6185084

COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(C#N)cnc2cc1F

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.83
EGFR P00533 7/20 0.83
GAK O14976 1/20 0.83
ERBB2 P04626 5/20 0.65
ABL1 P00519 1/20 0.61
ABL2 P42684 1/20 0.61
MAP2K1 Q02750 1/20 0.60

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
SCHEMBL5251972 0.85 SRC (0.80) SRCEGFRGAKERBB2ABL1
SCHEMBL6184514 0.83 SRC (1.00) SRCEGFRGAKERBB2ABL1
SCHEMBL7673296 0.81 SRC (0.74) SRCEGFRGAKERBB2MAP2K1
SCHEMBL5257082 0.81 SRC (0.73) SRCEGFRGAKERBB2MAP2K1
SCHEMBL3978612 0.81 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL27537981 0.81 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL4097022 0.81 SRC (0.73) SRCEGFRGAKERBB2ABL1
SCHEMBL4122543 0.81 SRC (0.76) SRCEGFRGAKERBB2ABL1
SCHEMBL5251804 0.81 SRC (0.72) SRCEGFRGAKERBB2ABL1
SCHEMBL5251812 0.81 SRC (0.72) SRCEGFRGAKERBB2ABL1

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 5 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 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 SRC 386/4885EGFR 1394/4885GAK 58/4885

“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.