SCHEMBL4579455

SCHEMBL4579455

COCCNc1cc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C#N

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.66
SRC P12931 7/20 0.53
GAK O14976 2/20 0.49
EGFR P00533 1/20 0.49
FGFR4 P22455 11/20 0.45
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43

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
SCHEMBL25491262 0.80 FGFR4 (0.52) FGFR4
SCHEMBL21611000 0.79 DYRK1A (1.00) DYRK1ASRCGAKEGFRFGFR4
SCHEMBL4580932 0.79 MAPK9 (0.53) DYRK1ASRC
SCHEMBL16668807 0.76 NCF1 (0.46) FGFR4
SCHEMBL16671033 0.74 FGFR4 (0.60) FGFR4
SCHEMBL28608878 0.73 DYRK1A (0.67) DYRK1ASRCGAKEGFRRIPK2
SCHEMBL16331603 0.72 DYRK1A (0.44) DYRK1ASRCGAKEGFRRIPK2
SCHEMBL4581593 0.71 DYRK1A (0.48) DYRK1ASRCGAKFGFR4RIPK2
SCHEMBL16668784 0.71 FGFR4 (0.56) FGFR4
SCHEMBL21610989 0.70 DYRK1A (0.84) DYRK1ASRCGAKEGFR

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 DYRK1A 2145/4885SRC 1098/4885GAK 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.