SCHEMBL5376405

SCHEMBL5376405

N[C@@H]1C[C@H](N)CN(c2nc(NCc3cccc(Cl)c3Cl)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
CYP2A13 Q16696 1/20 0.38
PRKCQ Q04759 1/20 0.38
HTT P42858 1/20 0.37
P2RX7 Q99572 3/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
HTR7 P34969 3/20 0.37
HTR6 P50406 3/20 0.37
PNMT P11086 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CD38 P28907 2/20 0.36
CYP3A4 P08684 1/20 0.36
CXCR4 P61073 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
SCHEMBL5384998 0.90 HTT (0.41) PIK3CAPIK3CBPRKCQHTTALDH1A1
SCHEMBL5383140 0.88 P2RX7 (0.39) PTPN11PRKCQHTTP2RX7CD38
SCHEMBL5378123 0.81 ACHE (0.46) PIK3CAPIK3CBHTT
SCHEMBL5383970 0.81 CYP3A4 (0.39) PTPN11HTTP2RX7KDM4EALDH1A1
SCHEMBL5391960 0.81 DPP4 (0.48) PRKCQKDM4E
SCHEMBL5392983 0.80 MAPK1 (0.43) PRKCQHTTHTR6ALDH1A1
SCHEMBL5427702 0.80 HTT (0.41) PRKCQHTTP2RX7ALDH1A1CD38
SCHEMBL5382198 0.78 HTT (0.47) HTTALDH1A1
SCHEMBL5378481 0.78 HTT (0.42) PRKCQHTTHTR1AHTR7ALDH1A1
SCHEMBL5401209 0.78 GAA (0.47) HTTP2RX7KDM4EALDH1A1CYP3A4

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 PTPN11 3419/4885PIK3CA 1624/4885PIK3CB 2202/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTPN11 3806/4885PIK3CA 1554/4885PIK3CB 2112/4885

“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.