Sugi Predict

Sugi Predict / Compounds / SCHEMBL5164989

SCHEMBL5164989

SCHEMBL5164989

CC(=O)CC(C)(C)Nc1c(-c2ccc(C(=O)O)s2)nc2cnccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SALL4 Q9UJQ4 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ CASP7 P55210 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ BRD4 O60885 4/20 0.38
▸ TAF1 P21675 1/20 0.38
▸ TAF1L Q8IZX4 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ PRKD3 O94806 1/20 0.35

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
SCHEMBL6650716 0.88 SALL4 (0.51) GAAALDH1A1GFERMEN1POLB
SCHEMBL5167939 0.86 TOP2A (0.49) GAAALDH1A1MEN1KMT2ASALL4
SCHEMBL5168086 0.78 ATM (0.53) GAAALDH1A1SALL4KDM4EHPGD
SCHEMBL6752274 0.75 MKNK1 (0.39) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5114898 0.74 GAA (0.56) GAAALDH1A1GFERMEN1POLB
SCHEMBL5164942 0.74 MKNK1 (0.36) GAAALDH1A1GFERMEN1POLB
SCHEMBL6650722 0.73 SALL4 (0.48) GAAALDH1A1GFERMEN1POLB
SCHEMBL6650380 0.72 GAA (0.61) GAAALDH1A1GFERPOLBKDM4E
SCHEMBL5115847 0.71 SALL4 (0.53) GAAALDH1A1GFERMEN1POLB
SCHEMBL5127905 0.70 GAA (0.52) GAAALDH1A1GFERMEN1POLB

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 536/4885ALDH1A1 3066/4885GFER 2922/4885

“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.