SCHEMBL5387007

SCHEMBL5387007

N[C@@H]1C[C@H](N)CN(c2nc(Nc3cccc(Br)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 7/20 0.49
HTT P42858 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
PRKCQ Q04759 1/20 0.40

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
SCHEMBL14533274 0.91 IDH2 (0.63) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5381191 0.85 IDH2 (0.49) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5380690 0.84 EGFR (0.46) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL14428047 0.84 LMNA (0.60) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5448044 0.84 LMNA (0.60) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5378542 0.82 IDH2 (0.47) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5381144 0.82 KMT2A (0.41) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5432412 0.81 IDH2 (0.47) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5392533 0.81 IDH2 (0.47) IDH2HTTLMNASMN1; SMN2MAPT
SCHEMBL5425121 0.81 IDH2 (0.47) IDH2HTTLMNASMN1; SMN2MAPT

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 6 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-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 IDH2 3327/4885HTT 949/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885HTT 516/4885LMNA 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.