SCHEMBL5452169

SCHEMBL5452169

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccccn3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.48
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDH2 P48735 1/20 0.36
HTT P42858 1/20 0.36
KDR P35968 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL14533290 0.91 IDH2 (0.49) ROCK1CDK4CCND1CCND2CCND3
SCHEMBL5391154 0.88 ROCK1 (0.38) ROCK1MEN1MAPK10GFERKMT2A
SCHEMBL5378489 0.81 KDM4E (0.48) ROCK1MEN1KMT2ALMNAKDR
SCHEMBL5448044 0.80 LMNA (0.60) ROCK1MEN1KMT2ALMNANPSR1
SCHEMBL14428047 0.80 LMNA (0.60) ROCK1MEN1KMT2ALMNANPSR1
SCHEMBL5387332 0.80 HTT (0.39) MEN1KMT2ALMNAIDH2HTT
SCHEMBL5376199 0.78 LMNA (0.57) ROCK1MEN1KMT2ALMNANPSR1
SCHEMBL5380743 0.77 USP30 (0.38) LMNANPSR1IDH2HTT
SCHEMBL5383829 0.76 ROCK1 (0.46) ROCK1KMT2ALMNANPSR1IDH2
SCHEMBL5384046 0.76 OGA (0.49) LMNA

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ROCK1 4501/4885CDK4 2617/4885CCND1 2564/4885

“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.