SCHEMBL4580646

SCHEMBL4580646

COc1ccc(Cc2cnc(C(N)=O)c(NC3CCOC3)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.42
SYK P43405 4/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
PDE1A P54750 1/20 0.40
KCNH2 Q12809 2/20 0.40
LRRK2 Q5S007 2/20 0.40
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
FYN P06241 1/20 0.38
PDE4B Q07343 1/20 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
SCHEMBL4582804 0.83 CHEK1 (0.41) PDE1BPDE1CPDE1AALDH1A1CA2
SCHEMBL4582130 0.73 TUBB4A (0.42) CTSDSYKJAK2JAK1TYK2
SCHEMBL583113 0.69 CTSD (0.46) CTSDJAK1JAK3MEN1KMT2A
SCHEMBL7387267 0.68 APEX1 (0.43) ALDH1A1
SCHEMBL7387274 0.68 APEX1 (0.43) ALDH1A1
SCHEMBL581713 0.67 CTSD (0.43) CTSDJAK1JAK3KCNH2MEN1
SCHEMBL5541123 0.67 CYP11B1 (0.42) MEN1KMT2A
SCHEMBL27858247 0.66 CYP19A1 (0.47) KMT2ACA2
SCHEMBL16505920 0.66 LRRK2 (0.38) SYKTYK2LRRK2
SCHEMBL583112 0.65 APEX1 (0.53) MEN1KMT2AALDH1A1

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 6 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
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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 CTSD 4397/4885SYK 462/4885JAK2 8/4885

“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.