SCHEMBL5382986

SCHEMBL5382986

CN(C)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CREBBP Q92793 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CAMK1D Q8IU85 1/20 0.32

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
SCHEMBL5383937 0.82 HTR2C (0.35) ALDH1A1LMNATSHRNPSR1HRH3
SCHEMBL5380621 0.82 ADRA1D (0.31)
SCHEMBL5386784 0.80 ALDH1A1 (0.35) ALDH1A1LMNANPSR1HTTHRH3
SCHEMBL5380895 0.80 TSHR (0.34) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL5388227 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ECYP1A2MAPK1HTT
SCHEMBL5387502 0.79 MAPK10 (0.33) CAMK1D
SCHEMBL5391025 0.79 ESR1 (0.34) ALDH1A1CAMK1D
SCHEMBL5391106 0.79 NPSR1 (0.38) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL5378356 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPK1
SCHEMBL5383240 0.78 HRH3 (0.42) HRH3

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 7 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 ALDH1A1 2233/4885KDM4E 2224/4885CYP1A2 1210/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ALDH1A1 2096/4885KDM4E 2873/4885CYP1A2 758/4885

“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.