SCHEMBL5166652

SCHEMBL5166652

Cc1ccn2c(NC3CCCCC3)c(-c3ccccn3)nc2c1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.98
ALDH1A1 P00352 7/20 0.98
SMN1; SMN2 Q16637 7/20 0.98
GFER P55789 4/20 0.98
HTT P42858 4/20 0.98
LMNA P02545 3/20 0.98
MAPT P10636 7/20 0.72
NPSR1 Q6W5P4 5/20 0.72
MAPK1 P28482 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
ALOX5 P09917 1/20 0.65
KMT2A Q03164 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
MITF O75030 1/20 0.64
TSHR P16473 1/20 0.64
POLB P06746 2/20 0.63
TP53 P04637 3/20 0.62
KDM4E B2RXH2 2/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.56

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
SCHEMBL19463919 0.85 GAA (0.98) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5168342 0.84 ALOX5 (0.82) GAAALDH1A1SMN1; SMN2GFERHTT
Hydrochloric Acid SCHEMBL5167314 0.83 ALOX5 (0.80) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5166636 0.83 GAA (0.69) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5166419 0.82 ALOX5 (0.68) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL20889319 0.82 GAA (0.75) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5167009 0.81 ALDH1A1 (0.98) GAAALDH1A1SMN1; SMN2GFERHTT
Acetic Acid SCHEMBL19464155 0.81 GAA (0.83) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5164949 0.80 ALDH1A1 (0.66) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5167149 0.80 ALDH1A1 (0.66) GAAALDH1A1SMN1; SMN2GFERHTT

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 8 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-A1 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 Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 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 Grünenthal GmbH (DE) 2002-04-18 WO 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
EP-1326613-A1 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 Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 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 Grünenthal GmbH (DE) 2002-04-18 WO 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 3066/4885SMN1; 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.