SCHEMBL4581973

SCHEMBL4581973

COc1cc(Nc2ccc(C#N)c(NCCO)c2)cc(I)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 2/20 0.37
SRC P12931 6/20 0.36
GAK O14976 3/20 0.36
EGFR P00533 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK2 O43353 2/20 0.35
COQ8A Q8NI60 2/20 0.35
NLK Q9UBE8 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
IDH1 O75874 3/20 0.35
IMPDH2 P12268 2/20 0.35
ERBB2 P04626 1/20 0.34
PRKCQ Q04759 1/20 0.34
KMT2A Q03164 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL4581255 0.89 DYRK1A (0.41) DYRK1AALDH1A1SRCGAKEGFR
SCHEMBL14252659 0.83 SRC (0.46) DYRK1AALDH1A1SRCGAKCYP1A2
SCHEMBL4581571 0.83 ALDH1A1 (0.41) DYRK1AALDH1A1SRCEGFRCYP1A2
SCHEMBL4580323 0.80 MAPK9 (0.45) DYRK1AALDH1A1SRCHPGDKMT2A
SCHEMBL4581874 0.71 SRC (0.42) DYRK1AALDH1A1SRCGAKEGFR
SCHEMBL4581125 0.70 SRC (0.41) DYRK1AALDH1A1SRCGAKEGFR
SCHEMBL4580452 0.69 MAPK9 (0.45) DYRK1AALDH1A1SRCGAAMAPT
SCHEMBL5162466 0.68 POLB (0.44) ALDH1A1GAAKMT2A
SCHEMBL4582113 0.67 TBK1 (0.42) DYRK1AALDH1A1SRCGAKEGFR
SCHEMBL4580964 0.67 TBK1 (0.51) 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 DYRK1A 2145/4885ALDH1A1 767/4885SRC 1098/4885

“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.