SCHEMBL4580964

SCHEMBL4580964

COc1cc(Nc2ccc(C#N)c(NC3CCOCC3)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 11/20 0.51
NSD2 O96028 1/20 0.41
FYN P06241 1/20 0.40
JAK2 O60674 4/20 0.39
SRC P12931 4/20 0.39
GAK O14976 3/20 0.39
EGFR P00533 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
RIPK2 O43353 2/20 0.38
COQ8A Q8NI60 2/20 0.38
NLK Q9UBE8 2/20 0.38

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
SCHEMBL4582113 0.87 TBK1 (0.42) TBK1SRCGAKEGFRRIPK2
SCHEMBL4581125 0.87 SRC (0.41) TBK1SRCGAKEGFRRIPK2
SCHEMBL4581296 0.82 TBK1 (0.42) TBK1NSD2FYN
SCHEMBL4578991 0.81 SRC (0.40) TBK1SRC
SCHEMBL4579223 0.79 MAPK10 (0.47) TBK1FYNJAK2SRCGAK
SCHEMBL4580156 0.76 AR (0.44) TBK1NSD2FYN
SCHEMBL4581082 0.76 PRKCQ (0.40) TBK1NSD2JAK2JAK1JAK3
SCHEMBL4581106 0.76 AR (0.39) TBK1NSD2FYN
SCHEMBL4581544 0.71 PRKCQ (0.42) TBK1FYNEGFR
SCHEMBL4581874 0.71 SRC (0.42) SRCGAKEGFRRIPK2COQ8A

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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 TBK1 2196/4885NSD2 2177/4885FYN 584/4885

“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.