SCHEMBL5382599

SCHEMBL5382599

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccnc4O)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
SCN9A Q15858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
GRM4 Q14833 2/20 0.34
IDH2 P48735 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL5454273 0.92 MET (0.42) IRAK4KDM4ESCN9AGRM4IDH2
SCHEMBL5454246 0.92 MET (0.42) IRAK4KDM4ESCN9AGRM4IDH2
SCHEMBL5386309 0.91 GRM4 (0.43) IRAK4SCN9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5381090 0.89 LMNA (0.41) KDM4ESCN9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5378015 0.89 KDM6A (0.42) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5380610 0.88 PIM1 (0.42) GRM4PIM2PIM1PIM3
SCHEMBL5376284 0.88 EGLN1 (0.46) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5376246 0.88 EGLN1 (0.46) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5382983 0.87 TERT (0.40) SCN9ASMN1; SMN2CAMK1DIDH2TSHR
SCHEMBL5384240 0.87 TSHR (0.43) KDM4ESCN9ASMN1; SMN2ALDH1A1GRM4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 KDM6A 2353/4885IRAK4 1326/4885KDM4E 2224/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KDM6A 2950/4885IRAK4 1932/4885KDM4E 2873/4885

“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.