SCHEMBL5376366

SCHEMBL5376366

NC(=O)c1ccc(Nc2ncnc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.52
JAK3 P52333 5/20 0.45
LCK P06239 2/20 0.45
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
SYK P43405 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
JAK2 O60674 2/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL5383894 0.89 PTGS2 (0.50) SCN9AJAK3LCKKITFLT3
SCHEMBL5383940 0.86 PTGS2 (0.47) SCN9AJAK3LCKKITFLT3
SCHEMBL5376373 0.85 SMN1; SMN2 (0.43) SCN9ACAMK1DSYK
SCHEMBL5388839 0.85 PTGS2 (0.46) SCN9AJAK3LCKKITFLT3
SCHEMBL5385107 0.84 JAK3 (0.46) SCN9AJAK3LCKKITFLT3
SCHEMBL5448356 0.84 JAK3 (0.46) JAK3LCKKITFLT3CAMK1D
SCHEMBL14533275 0.81 PTGS2 (0.51) JAK3LCKCAMK1D
SCHEMBL5395797 0.81 MAPT (0.53) JAK3CAMK1D
SCHEMBL5383941 0.81 PTGS2 (0.43) SCN9AJAK3LCKKITFLT3
SCHEMBL5383796 0.80 GBA1 (0.42) JAK3LCKSYK

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
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 SCN9A 4552/4885JAK3 758/4885LCK 1653/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885JAK3 433/4885LCK 3115/4885

“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.