SCHEMBL5383940

SCHEMBL5383940

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
LRRK2 Q5S007 1/20 0.42
JAK3 P52333 4/20 0.41
LCK P06239 1/20 0.41
FLT3 P36888 2/20 0.40
KIT P10721 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
SYK P43405 1/20 0.39
CDK2 P24941 4/20 0.39
CDK1 P06493 3/20 0.39
JAK2 O60674 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
PDGFRA P16234 1/20 0.39
SCN9A Q15858 1/20 0.39
SRC P12931 1/20 0.39
CCNB2 O95067 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 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
SCHEMBL5383894 0.96 PTGS2 (0.50) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5388839 0.92 PTGS2 (0.46) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5448356 0.91 JAK3 (0.46) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5385107 0.91 JAK3 (0.46) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5384740 0.89 PTGS2 (0.61) PTGS2CAMK1DCDK2CDK1CCNB2
SCHEMBL5383941 0.88 PTGS2 (0.43) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL14533275 0.88 PTGS2 (0.51) PTGS2JAK3LCKCAMK1D
SCHEMBL5383960 0.86 PTGS2 (0.42) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5378861 0.86 PTGS2 (0.42) PTGS2LRRK2JAK3LCKFLT3
SCHEMBL5376366 0.86 SCN9A (0.52) JAK3LCKFLT3KITCAMK1D

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-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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 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 (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 PTGS2 4416/4885LRRK2 821/4885JAK3 758/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTGS2 4131/4885LRRK2 1599/4885JAK3 433/4885

“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.