SCHEMBL4581874

SCHEMBL4581874

COCC(C)Nc1cc(Nc2cc(OC)c(OC)c(OC)c2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.42
DYRK1A Q13627 1/20 0.42
GAK O14976 3/20 0.40
EGFR P00533 2/20 0.40
RIPK2 O43353 2/20 0.39
COQ8A Q8NI60 2/20 0.39
NLK Q9UBE8 2/20 0.39
AR P10275 3/20 0.39
G6PD P11413 1/20 0.39
PLK1 P53350 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERBB2 P04626 1/20 0.35
IMPDH2 P12268 1/20 0.35

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
SCHEMBL4582739 0.78 MAPK9 (0.51) SRCDYRK1AG6PDPLK1PTK2
SCHEMBL4783058 0.75 SRC (0.44) SRCDYRK1AGAKEGFRRIPK2
SCHEMBL4580624 0.74 KDM4E (0.39) ARALDH1A1
SCHEMBL4578991 0.72 SRC (0.40) SRCALDH1A1
SCHEMBL4582113 0.71 TBK1 (0.42) SRCDYRK1AGAKEGFRRIPK2
SCHEMBL4581255 0.71 DYRK1A (0.41) SRCDYRK1AGAKEGFRRIPK2
SCHEMBL4581125 0.71 SRC (0.41) SRCDYRK1AGAKEGFRRIPK2
SCHEMBL4581973 0.71 DYRK1A (0.41) SRCDYRK1AGAKEGFRRIPK2
SCHEMBL4580964 0.71 TBK1 (0.51) SRCGAKEGFRRIPK2COQ8A
SCHEMBL4580429 0.67 SRC (0.51) SRCEGFRARALDH1A1ERBB2

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 SRC 1098/4885DYRK1A 2145/4885GAK 1764/4885

“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.