SCHEMBL5448367

SCHEMBL5448367

Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](O)C[C@@H](O)C3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 3/20 0.41
LMNA P02545 3/20 0.39
PTGS2 P35354 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDH2 P48735 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GBA1 P04062 1/20 0.36
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL5385113 0.97 CAMK1D (0.41) CAMK1DLMNAPTGS2NPSR1IDH2
SCHEMBL5420671 0.92 LMNA (0.44) LMNAPTGS2NPSR1IDH2CYP1A2
SCHEMBL5388854 0.91 LMNA (0.40) CAMK1DLMNAPTGS2NPSR1IDH2
SCHEMBL5391943 0.89 IDH2 (0.51) LMNAPTGS2NPSR1IDH2GBA1
SCHEMBL5383954 0.88 LMNA (0.41) LMNAPTGS2NPSR1IDH2CYP1A2
SCHEMBL5392375 0.87 CAMK1D (0.35) CAMK1DLMNAPTGS2NPSR1IDH2
SCHEMBL5448356 0.86 JAK3 (0.46) CAMK1DPTGS2
SCHEMBL5384132 0.85 PTGS2 (0.59) CAMK1DLMNAPTGS2NPSR1CYP1A2
SCHEMBL14428606 0.85 PTGS2 (0.59) CAMK1DLMNAPTGS2NPSR1CYP1A2
SCHEMBL5385107 0.83 JAK3 (0.46) CAMK1DPTGS2

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 1 patent. 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

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 CAMK1D 4720/4885LMNA 4065/4885PTGS2 4416/4885

“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.