SCHEMBL5166530

SCHEMBL5166530

CC(=O)N(c1c(-c2ccco2)nc2cc(C)cc(C)n12)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.40
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 3/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 7/20 0.37
TP53 P04637 2/20 0.37
CDC7 O00311 3/20 0.36
PLK4 O00444 3/20 0.36
DYRK3 O43781 3/20 0.36
PRKD3 O94806 3/20 0.36
MAP4K4 O95819 3/20 0.36
AKT1 P31749 3/20 0.36
MAPKAPK2 P49137 3/20 0.36
CLK2 P49760 3/20 0.36
CSNK2A1 P68400 3/20 0.36
MAP4K2 Q12851 3/20 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
SCHEMBL5166413 0.89 CREBBP (0.37) GAAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5167746 0.84 GAA (0.49) GAAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5168438 0.83 CGAS (0.39) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5167115 0.79 KMT2A (0.46) KDM4EKMT2A
SCHEMBL5168319 0.79 MAPT (0.40) GAAALDH1A1KDM4EPOLBHPGD
SCHEMBL5165642 0.75 GAA (0.33) GAAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5167270 0.74 MEN1 (0.36) GAAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5168168 0.74 GAA (0.42) GAAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5166910 0.72 CREBBP (0.42) GAASMN1; SMN2PKMMAPTKMT2A
SCHEMBL6652419 0.72 GAA (0.51) GAAALDH1A1KDM4ESMN1; SMN2POLB

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 3066/4885KDM4E 3834/4885

“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.