SCHEMBL5383953

SCHEMBL5383953

N[C@@H]1C[C@H](N)CN(c2nc(N[C@H](c3ccccc3)[C@@H](O)c3ccccc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.40
MKNK1 Q9BUB5 3/20 0.40
AOC3 Q16853 2/20 0.40
MAN2A1 Q16706 2/20 0.34
MAN1B1 Q9UKM7 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CTSL P07711 3/20 0.31
CTSB P07858 3/20 0.31
CTSS P25774 3/20 0.31
CTSK P43235 3/20 0.31
TPH1 P17752 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5383242 1.00 MKNK2 (0.40) MKNK2MKNK1AOC3MAN2A1MAN1B1
SCHEMBL5378092 0.83 ACHE (0.38) HRH4LMNAHTTNPSR1ACHE
SCHEMBL5382285 0.81 CDK1 (0.39) MAN2A1MAN1B1LMNAHTTKDM4E
SCHEMBL5382850 0.81 CDK1 (0.39) MAN2A1MAN1B1LMNAHTTKDM4E
SCHEMBL5382275 0.81 CDK1 (0.39) MAN2A1MAN1B1LMNAHTTKDM4E
SCHEMBL5380907 0.81 HTR7 (0.44) HRH4LMNANPSR1KDM4EALDH1A1
SCHEMBL5382829 0.81 EGFR (0.40) MKNK2LMNAHTTKDM4EALDH1A1
SCHEMBL5381727 0.80 CNR2 (0.39) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL5384017 0.79 IDH1 (0.41) HRH4LMNAHTTKDM4EALDH1A1
SCHEMBL5380797 0.79 HTT (0.43) LMNAHTTNPSR1KDM4EALDH1A1

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 MKNK2 3990/4885MKNK1 3286/4885AOC3 65/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MKNK2 3913/4885MKNK1 3609/4885AOC3 72/4885

“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.