SCHEMBL4097022

SCHEMBL4097022

COc1cc(Nc2c(C#N)cnc3ccc(Br)cc23)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.73
EGFR P00533 6/20 0.73
GAK O14976 3/20 0.73
ERBB2 P04626 5/20 0.67
EPHB6 O15197 1/20 0.58
RIPK2 O43353 1/20 0.58
STK16 O75716 1/20 0.58
ABL1 P00519 1/20 0.58
ACVR1 Q04771 1/20 0.58
AAK1 Q2M2I8 1/20 0.58
COQ8A Q8NI60 1/20 0.58
NLK Q9UBE8 1/20 0.58

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
SCHEMBL3978612 0.91 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL7673296 0.85 SRC (0.74) SRCEGFRGAKERBB2
SCHEMBL4960679 0.84 MAP2K1 (0.71) SRCEGFRGAKERBB2
SCHEMBL5251972 0.82 SRC (0.80) SRCEGFRGAKERBB2ABL1
SCHEMBL6185084 0.81 SRC (0.83) SRCEGFRGAKERBB2ABL1
SCHEMBL27537981 0.80 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL5257082 0.80 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL4078986 0.80 SRC (0.75) SRCABL1
SCHEMBL6381853 0.78 EGFR (1.00) SRCEGFRGAKERBB2
SCHEMBL6184514 0.78 SRC (1.00) 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-1981505-A4 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH CORP (US) 2009-05-13 EP disclosed
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US disclosed
CN-101378758-A Preparation of 7-alkenyl-3 quinolinecarbonitriles via a palladium mediated coupling reaction WYETH CORP (US) 2009-03-04 CN disclosed
EP-1981505-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION Wyeth a Corporation of the State of Delaware (US) 2008-10-22 EP disclosed
WO-2007092153-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2007-08-16 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-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION PARK7, UQCRB, PRMT7 SRC 3605/4885EGFR 2351/4885GAK 1607/4885

“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.