SCHEMBL5168420

SCHEMBL5168420

COc1ccccc1-c1nc2c(C)cccn2c1NC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.66
BACE1 P56817 2/20 0.56
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
ADORA1 P30542 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
AGER Q15109 1/20 0.44
TRIM24 O15164 2/20 0.44
TRIM33 Q9UPN9 2/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL1967579 0.85 ALOX5 (0.65) ALOX5BACE1MAPTADORA1TP53
SCHEMBL5127843 0.85 ALOX5 (0.65) ALOX5BACE1MEN1KMT2AMAPT
SCHEMBL1970170 0.84 ALOX5 (0.63) ALOX5BACE1MAPTADORA1SMN1; SMN2
SCHEMBL2992223 0.84 ALOX5 (0.63) ALOX5BACE1MEN1KMT2AMAPT
SCHEMBL5165713 0.78 ALOX5 (0.78) ALOX5BACE1MAPTADORA1HPGD
SCHEMBL2979883 0.77 ALOX5 (0.80) ALOX5BACE1MAPTADORA1
SCHEMBL6285691 0.76 RAB9A (0.48) ALOX5BACE1RAB9ANPC1MEN1
SCHEMBL5167267 0.76 ALOX5 (0.65) ALOX5BACE1MAPTADORA1HPGD
SCHEMBL15172137 0.75 ADORA1 (0.71) ALOX5BACE1MAPTADORA1SMN1; SMN2
SCHEMBL1965905 0.75 ADORA1 (0.58) ALOX5BACE1MAPTADORA1TRIM24

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 6 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

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 ALOX5 115/4885BACE1 19/4885RAB9A 4697/4885

“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.