SCHEMBL6182745

SCHEMBL6182745

COc1cc(Nc2c(C#N)cnc3cc(OCc4cccs4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.73
ABL1 P00519 6/20 0.73
BCR P11274 5/20 0.73
KCNH2 Q12809 2/20 0.63
ABL2 P42684 2/20 0.63
STK25 O00506 1/20 0.63
CIT O14578 1/20 0.63
RIOK3 O14730 1/20 0.63
MAP2K7 O14733 1/20 0.63
CHEK1 O14757 1/20 0.63
CASK O14936 1/20 0.63
GAK O14976 1/20 0.63
EPHB6 O15197 1/20 0.63
MAP3K13 O43283 1/20 0.63
MAP3K7 O43318 1/20 0.63
RIPK2 O43353 1/20 0.63
NUAK1 O60285 1/20 0.63
JAK2 O60674 1/20 0.63
ROCK2 O75116 1/20 0.63
ULK1 O75385 1/20 0.63

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
SCHEMBL6183876 0.86 SRC (0.78) SRCABL1BCRKCNH2ABL2
SCHEMBL22861713 0.85 SRC (1.00) SRCABL1BCRABL2
SCHEMBL6185105 0.85 SRC (0.54) SRCABL1BCRFYN
SCHEMBL6186881 0.82 SRC (0.85) SRCABL1BCRKCNH2ABL2
SCHEMBL2886333 0.82 SRC (0.85) SRCABL1BCRKCNH2ABL2
SCHEMBL6182533 0.82 SRC (1.00) SRCABL1BCRKCNH2ABL2
SCHEMBL29618203 0.82 SRC (0.85) SRCABL1BCRKCNH2ABL2
SCHEMBL6182832 0.81 SRC (0.83) SRCABL1BCRKCNH2ABL2
Hydrochloric Acid SCHEMBL19207239 0.81 SRC (0.84) SRCABL1BCRKCNH2ABL2
SCHEMBL16626984 0.81 SRC (0.84) SRCABL1BCRKCNH2ABL2

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 12 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-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 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
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 386/4885ABL1 26/4885BCR 1123/4885

“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.