SCHEMBL5380962

SCHEMBL5380962

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(F)c(F)c4O)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.38
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 2/20 0.35
HDAC3 O15379 1/20 0.35
PIK3CA P42336 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
IDH2 P48735 1/20 0.34
BACE1 P56817 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PIM1 P11309 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
SCHEMBL5381546 0.91 SCN9A (0.41) SCN9ACAMK1D
SCHEMBL5381118 0.89 RAD52 (0.38) SCN9AHDAC3PIK3CACAMK1D
SCHEMBL5382983 0.88 TERT (0.40) SCN9ACAMK1DIDH2BACE1
SCHEMBL5397163 0.88 SCN9A (0.37) SCN9AHDAC3PIK3CAIDH2
SCHEMBL5401162 0.87 SCN9A (0.37) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL5401187 0.87 SCN9A (0.37) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL5383230 0.86 SCN9A (0.43) SCN9A
SCHEMBL5375652 0.86 SCN9A (0.41) SCN9A
SCHEMBL5431888 0.86 TAS1R3 (0.41) SCN9AHDAC3PIK3CAIDH2
SCHEMBL14503827 0.86 SCN9A (0.41) SCN9A

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
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 4552/4885JAK2 1863/4885JAK1 3545/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885JAK2 973/4885JAK1 1806/4885

“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.