SCHEMBL5382829

SCHEMBL5382829

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
RPS6KB1 P23443 4/20 0.38
PRKACA P17612 2/20 0.36
GSK3A P49840 2/20 0.36
PRKX P51817 2/20 0.36
ROCK1 Q13464 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
AKT1 P31749 2/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5382850 0.91 CDK1 (0.39) EGFRLMNAKDM4EALDH1A1TSHR
SCHEMBL5382285 0.91 CDK1 (0.39) EGFRLMNAKDM4EALDH1A1TSHR
SCHEMBL5382275 0.91 CDK1 (0.39) EGFRLMNAKDM4EALDH1A1TSHR
SCHEMBL5380797 0.86 HTT (0.43) LMNAKDM4EALDH1A1TSHRMAPT
SCHEMBL5384017 0.86 IDH1 (0.41) EGFRLMNAKDM4EALDH1A1TSHR
Benzamide SCHEMBL5462503 0.83 KDM4E (0.39) EGFRKCNH2LMNAKDM4EALDH1A1
SCHEMBL14503245 0.83 IDH2 (0.42) LMNAKDM4EALDH1A1TSHRMAPT
SCHEMBL5378092 0.83 ACHE (0.38) LMNAP2RX3HTTACHE
SCHEMBL5380907 0.81 HTR7 (0.44) LMNAKDM4EALDH1A1TSHRMAPT
SCHEMBL5383953 0.81 MKNK2 (0.40) LMNAKDM4EALDH1A1TSHRMAPT

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 EGFR 1242/4885KCNH2 2147/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EGFR 1690/4885KCNH2 2327/4885LMNA 4008/4885

“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.