SCHEMBL4128221

SCHEMBL4128221

CCN1CCN(CCC=Cc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
EGFR P00533 3/20 0.91
ABL1 P00519 2/20 0.91
STK25 O00506 1/20 0.67
CIT O14578 1/20 0.67
RIOK3 O14730 1/20 0.67
MAP2K7 O14733 1/20 0.67
CHEK1 O14757 1/20 0.67
CASK O14936 1/20 0.67
GAK O14976 1/20 0.67
EPHB6 O15197 1/20 0.67
MAP3K13 O43283 1/20 0.67
MAP3K7 O43318 1/20 0.67
RIPK2 O43353 1/20 0.67
NUAK1 O60285 1/20 0.67
JAK2 O60674 1/20 0.67
ROCK2 O75116 1/20 0.67
ULK1 O75385 1/20 0.67
PAK3 O75914 1/20 0.67
STK10 O94804 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
SCHEMBL4128217 1.00 SRC (1.00) SRCEGFRABL1STK25CIT
SCHEMBL4123290 0.95 SRC (1.00) SRCEGFRABL1STK25CIT
SCHEMBL4123285 0.95 SRC (1.00) SRCEGFRABL1STK25CIT
SCHEMBL4123935 0.94 SRC (0.98) SRCEGFRABL1STK25CIT
SCHEMBL4123930 0.94 SRC (0.98) SRCEGFRABL1STK25CIT
SCHEMBL4132980 0.93 SRC (1.00) SRCEGFRABL1STK25CIT
SCHEMBL4132977 0.93 SRC (1.00) SRCEGFRABL1STK25CIT
SCHEMBL4123793 0.92 SRC (1.00) SRCEGFRABL1ERBB2FYN
SCHEMBL4123796 0.92 SRC (1.00) SRCEGFRABL1ERBB2FYN
SCHEMBL4116887 0.87 SRC (1.00) SRCEGFRABL1ERBB2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US claimed
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US 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 2351/4885ABL1 64/4885

“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.