Sugi Predict

Sugi Predict / Compounds / SCHEMBL5382850

SCHEMBL5382850

SCHEMBL5382850

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EGFR P00533 4/20 0.37
▸ MAN2A1 Q16706 2/20 0.36
▸ MAN1B1 Q9UKM7 2/20 0.36
▸ MAN2B1 O00754 1/20 0.36
▸ CX3CR1 P49238 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MGAM O43451 2/20 0.35
▸ SI P14410 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ NTRK1 P04629 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
SCHEMBL5382275 1.00 CDK1 (0.39) CDK1CDK5KDM4ELMNAALDH1A1
SCHEMBL5382285 1.00 CDK1 (0.39) CDK1CDK5KDM4ELMNAALDH1A1
SCHEMBL5382829 0.91 EGFR (0.40) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL14503245 0.91 IDH2 (0.42) CDK1KDM4ELMNAALDH1A1MAPT
Benzamide SCHEMBL5462503 0.91 KDM4E (0.39) CDK1CDK5KDM4ELMNAALDH1A1
SCHEMBL5380797 0.88 HTT (0.43) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL5384017 0.88 IDH1 (0.41) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL5378092 0.84 ACHE (0.38) LMNAHTT
SCHEMBL5380907 0.82 HTR7 (0.44) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL5383953 0.81 MKNK2 (0.40) KDM4ELMNAALDH1A1MAPTTSHR

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 CDK1 2895/4885CDK5 3199/4885KDM4E 2224/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CDK1 1847/4885CDK5 3167/4885KDM4E 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.