SCHEMBL5376296

SCHEMBL5376296

Cc1cc(NNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
PDE4A P27815 1/20 0.33
AGO2 Q9UKV8 1/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 1/20 0.31
CAMK1D Q8IU85 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL14504041 0.79 LMNA (0.46) POLBALDH1A1GAA
SCHEMBL5383222 0.78 HRH3 (0.42) HRH3ALDH1A1CAMK1DGAA
SCHEMBL5378518 0.78 ALDH1A1 (0.53) PDE4AAGO2POLBALDH1A1
SCHEMBL5380938 0.75 LMNA (0.44) ALDH1A1CAMK1D
SCHEMBL5378924 0.73 HTT (0.51) POLBALDH1A1GAA
SCHEMBL5388010 0.73 KMT2A (0.39) POLBALDH1A1GAA
SCHEMBL5391154 0.73 ROCK1 (0.38) ALDH1A1GAA
SCHEMBL5387512 0.72 HTR3A (0.34) ALDH1A1CAMK1DGAA
SCHEMBL5444863 0.72 MAPT (0.37) POLBALDH1A1GAA
SCHEMBL5387045 0.71 LMNA (0.44) POLBALDH1A1GAA

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 HRH3 324/4885PDE4A 1516/4885AGO2 1610/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HRH3 711/4885PDE4A 2360/4885AGO2 1119/4885

“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.