SCHEMBL5386983

SCHEMBL5386983

N[C@@H]1C[C@H](N)CN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 12/20 0.56
MAPT P10636 1/20 0.50
CAMK1D Q8IU85 5/20 0.45
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL14533293 0.91 IDH2 (0.70) IDH2MAPTCAMK1D
SCHEMBL5390801 0.88 IDH2 (0.72) IDH2MAPTUSP2SMN1; SMN2APP
SCHEMBL5383818 0.82 IDH2 (0.41) IDH2MAPTCAMK1DSMN1; SMN2APP
SCHEMBL5378863 0.80 HTT (0.47) IDH2MAPTCAMK1DSMN1; SMN2
SCHEMBL5384763 0.79 IDH2 (0.59) IDH2MAPTCAMK1DUSP2SMN1; SMN2
SCHEMBL5388259 0.78 IDH2 (0.44) IDH2MAPT
SCHEMBL5448044 0.76 LMNA (0.60) IDH2MAPTUSP2SMN1; SMN2
SCHEMBL14428047 0.76 LMNA (0.60) IDH2MAPTUSP2SMN1; SMN2
SCHEMBL5378858 0.76 IDH2 (0.43) IDH2MAPTSMN1; SMN2
SCHEMBL5400612 0.76 CTSS (0.52) IDH2

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-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 3327/4885MAPT 2536/4885CAMK1D 4720/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885MAPT 2630/4885CAMK1D 4367/4885

“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.