SCHEMBL4067241

SCHEMBL4067241

COc1cnc2ncc(Cl)c(N3CCC(CCN)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.46
PDE10A Q9Y233 1/20 0.39
SUV39H2 Q9H5I1 4/20 0.38
PTPN11 Q06124 2/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYP8B1 Q9UNU6 2/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 2/20 0.34
ACHE P22303 1/20 0.34
CES2 O00748 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MELK Q14680 1/20 0.33

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
SCHEMBL4071738 0.85 ABCB1 (0.49) ENPP1ABCB1ABCC1ABCG2CYP8B1
SCHEMBL4072482 0.82 HSD17B10 (0.39) SUV39H2
SCHEMBL4066842 0.80 ENPP1 (0.46) ENPP1PDE10ASUV39H2ABCB1ABCC1
SCHEMBL4073225 0.80 SUV39H2 (0.47) ENPP1SUV39H2ACHE
SCHEMBL30163242 0.79 HRH3 (0.45)
SCHEMBL5751891 0.72 ENPP1 (0.42) ENPP1SUV39H2PTPN11MELK
SCHEMBL4063525 0.71 KCNH2 (0.44)
SCHEMBL4068347 0.69 POLB (0.43)
SCHEMBL4066233 0.67 NCF1 (0.62) ENPP1
SCHEMBL4071728 0.67 ALDH1A1 (0.48) CES2MELK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG ENPP1 577/4885PDE10A 4240/4885SUV39H2 3278/4885

“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.