SCHEMBL5164552

SCHEMBL5164552

CSc1ccc(-c2nc3cnccn3c2N(C(C)=O)C(C)(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 16/20 0.34
MAPT P10636 14/20 0.34
MAPK1 P28482 2/20 0.34
GFER P55789 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 4/20 0.34
ALDH1A1 P00352 7/20 0.33
LMNA P02545 4/20 0.33
HPGD P15428 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 5/20 0.32
SYK P43405 1/20 0.32
SALL4 Q9UJQ4 1/20 0.32
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL5169380 0.90 GAA (0.34) GAAGFERMEN1KMT2AALDH1A1
SCHEMBL6752274 0.85 MKNK1 (0.39) GAAMAPTMAPK1GFERMEN1
SCHEMBL5164992 0.82 GAA (0.33) GAAMAPTMAPK1GFERMEN1
SCHEMBL5164942 0.75 MKNK1 (0.36) GAAGFERMEN1KMT2AALDH1A1
SCHEMBL5164945 0.73 GAA (0.35) GAAGFERMEN1KMT2AALDH1A1
SCHEMBL6750698 0.70 RPS6KB2 (0.42) GAAMAPTMEN1KMT2ATP53
SCHEMBL5167703 0.67 GAA (0.54) GAAMAPTMAPK1MEN1KMT2A
SCHEMBL5115120 0.64 GAA (0.39) GAAMAPTMAPK1GFERMEN1
SCHEMBL6650716 0.63 SALL4 (0.51) GAAMAPTMAPK1GFERMEN1
SCHEMBL5115068 0.62 GAA (0.35) GAAMAPTMAPK1GFERMEN1

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 203/4885MAPK1 623/4885

“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.