SCHEMBL5384763

SCHEMBL5384763

N[C@@H]1C[C@H](N)CN(c2nc(NNc3cccc(C(F)(F)F)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 14/20 0.59
MAPT P10636 1/20 0.54
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.44
CAMK1D Q8IU85 3/20 0.43
MAP3K7 O43318 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 1/20 0.43
BLK P51451 1/20 0.43
RIPK4 P57078 1/20 0.43
CSNK2A1 P68400 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAP2K5 Q13163 1/20 0.43
MAP3K11 Q16584 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL5390801 0.89 IDH2 (0.72) IDH2MAPTUSP2SMN1; SMN2APP
SCHEMBL5388259 0.85 IDH2 (0.44) IDH2MAPT
SCHEMBL5382180 0.84 IDH2 (0.41) IDH2MAPTSMN1; SMN2
SCHEMBL5383975 0.82 PAK4 (0.41) IDH2MAPT
SCHEMBL5378924 0.82 HTT (0.51) IDH2MAPTUSP2SMN1; SMN2
SCHEMBL5387045 0.81 LMNA (0.44) IDH2MAPTSMN1; SMN2
SCHEMBL14504698 0.81 MAPT (0.77) IDH2MAPTUSP2SMN1; SMN2APP
SCHEMBL14428527 0.80 IDH2 (0.42) IDH2MAPT
SCHEMBL5386983 0.79 IDH2 (0.56) IDH2MAPTUSP2SMN1; SMN2APP
SCHEMBL5387483 0.76 MAPT (0.41) IDH2MAPTSMN1; SMN2

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 IDH2 3327/4885MAPT 2536/4885USP2 4396/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885MAPT 2630/4885USP2 4394/4885

“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.