SCHEMBL5391925

SCHEMBL5391925

NC(=O)c1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3CCC[C@@H](O)C3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.48
LCK P06239 2/20 0.48
PTGS2 P35354 3/20 0.48
IDH2 P48735 7/20 0.48
CAMK1D Q8IU85 1/20 0.40
LMNA P02545 1/20 0.39
LRRK2 Q5S007 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL14533275 0.93 PTGS2 (0.51) JAK3LCKPTGS2IDH2CAMK1D
SCHEMBL5380852 0.91 PTGS2 (0.61) JAK3LCKPTGS2IDH2LMNA
SCHEMBL5380832 0.91 PTGS2 (0.61) JAK3LCKPTGS2IDH2LMNA
SCHEMBL5385107 0.90 JAK3 (0.46) JAK3LCKPTGS2CAMK1DLRRK2
SCHEMBL5448356 0.90 JAK3 (0.46) JAK3LCKPTGS2CAMK1DLRRK2
SCHEMBL5383894 0.88 PTGS2 (0.50) JAK3LCKPTGS2CAMK1DLRRK2
SCHEMBL5391943 0.88 IDH2 (0.51) PTGS2IDH2LMNA
SCHEMBL5388839 0.86 PTGS2 (0.46) JAK3LCKPTGS2CAMK1DLRRK2
SCHEMBL5383940 0.85 PTGS2 (0.47) JAK3LCKPTGS2CAMK1DLRRK2
SCHEMBL5392155 0.83 JAK3 (0.42) JAK3LCKPTGS2IDH2CAMK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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 (2 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 JAK3 758/4885LCK 1653/4885PTGS2 4416/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD JAK3 433/4885LCK 3115/4885PTGS2 4131/4885

“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.