SCHEMBL5751891

SCHEMBL5751891

COc1ccc2ncc(Cl)c(N3CCC(CCN)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.42
MELK Q14680 2/20 0.40
PTPN11 Q06124 1/20 0.40
SUV39H2 Q9H5I1 4/20 0.39
KCNH2 Q12809 4/20 0.39
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4072478 0.83 KCNH2 (0.42) SUV39H2KCNH2
SCHEMBL30354542 0.81 DYRK1A (0.43) PTPN11KCNH2DYRK1A
SCHEMBL4073223 0.80 SUV39H2 (0.48) MELKSUV39H2KCNH2DYRK1A
SCHEMBL4068365 0.79 KCNH2 (0.37) PTPN11KCNH2DYRK1A
SCHEMBL4066839 0.79 CYP8B1 (0.46) ENPP1KCNH2
SCHEMBL4071738 0.79 ABCB1 (0.49) ENPP1MELKKCNH2
SCHEMBL4074224 0.77 KCNH2 (0.58) KCNH2
SCHEMBL1224242 0.74 SSTR2 (0.46) KCNH2
SCHEMBL4063521 0.73 KCNH2 (0.41) KCNH2
SCHEMBL4067241 0.72 ENPP1 (0.46) ENPP1MELKPTPN11SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG ENPP1 577/4885MELK 1838/4885PTPN11 3552/4885

“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.