SCHEMBL5380690

SCHEMBL5380690

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(Br)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
IDH2 P48735 2/20 0.40
PTGS2 P35354 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5420671 0.87 LMNA (0.44) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5392801 0.86 LMNA (0.43) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL14428525 0.86 LMNA (0.58) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5376199 0.86 LMNA (0.57) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5448044 0.85 LMNA (0.60) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL14428047 0.85 LMNA (0.60) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5383829 0.84 ROCK1 (0.46) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5387007 0.84 IDH2 (0.49) LMNANPSR1SMN1; SMN2HTTIDH2
SCHEMBL5383954 0.83 LMNA (0.41) LMNANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5377918 0.83 LMNA (0.51) LMNANPSR1CYP1A2CYP3A4CYP2C9

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 1242/4885LMNA 4065/4885NPSR1 3969/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EGFR 1690/4885LMNA 4008/4885NPSR1 2974/4885

“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.