SCHEMBL5168439

SCHEMBL5168439

CC(=O)N(c1c(-c2ccc([N+](=O)[O-])o2)nc2cc(C)ccn12)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.39
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
SLC2A1 P11166 1/20 0.38
JAK2 O60674 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 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
SCHEMBL5169244 0.83 GAA (0.42) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL5166774 0.81 SLC2A1 (0.35) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL5169251 0.81 GAA (0.40) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL5166163 0.79 GAA (0.39) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL5167746 0.79 GAA (0.49) GAAMAPTSMN1; SMN2TP53CGAS
SCHEMBL5168360 0.74 RAB9A (0.36) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL5168273 0.73 GAA (0.57) GAAMAPTSMN1; SMN2TP53CGAS
SCHEMBL5166367 0.72 GAA (0.56) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL5167743 0.72 GAA (0.55) GAAMAPTSMN1; SMN2TP53CGAS
SCHEMBL5168236 0.72 GAA (0.41) GAAMAPTSMN1; SMN2TP53THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 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 (1 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 GAA 536/4885MAPT 203/4885SMN1; SMN2 59/4885

“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.