SCHEMBL6573896

SCHEMBL6573896

CN(C)c1ccc(N)cc1C=NN=C(N)N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
GRIN2D O15399 14/20 0.47
GRIN3B O60391 14/20 0.47
GRIN1 Q05586 14/20 0.47
GRIN2A Q12879 14/20 0.47
GRIN2B Q13224 14/20 0.47
GRIN2C Q14957 14/20 0.47
GRIN3A Q8TCU5 14/20 0.47
TLR4 O00206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FURIN P09958 2/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL6572392 0.84 HTR1A (0.50) MAPTMAPK1GRIN2DGRIN3BGRIN1
SCHEMBL6574017 0.78 TLR4 (0.52) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6573488 0.77 MAPT (0.59) MAPTMAPK1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL7266109 0.76 TLR4 (0.58) MAPTMAPK1GRIN2DGRIN3BGRIN1
SCHEMBL6574626 0.75 MAPT (0.38) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL6574739 0.72 GRIN2D (0.59) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6573468 0.69 GRIN2D (0.59) MAPTMAPK1GRIN2DGRIN3BGRIN1
SCHEMBL4532794 0.69 SLC6A4 (0.47) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL6573971 0.67 TLR4 (0.40) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11811790 0.65 CYP3A4 (0.46) MAPTMAPK1ALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120405-B1 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes OREAL (FR) 2004-10-27 EP claimed
US-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes L'OREAL S.A. (FR) 2001-11-01 US claimed
EP-1120405-A2 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes L'OREAL (FR) 2001-08-01 EP claimed
EP-1120405-B1 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes OREAL (FR) 2004-10-27 EP disclosed
US-6652600-B2 Oxidation color dye L'OREAL S.A. (FR) 2003-11-25 US disclosed
US-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes L'OREAL S.A. (FR) 2001-11-01 US disclosed
EP-1120405-A2 Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes L'OREAL (FR) 2001-08-01 EP 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-20010034913-A1 Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes KRT18, OGG1, UNG MAPT 1802/4885MAPK1 1684/4885GRIN2D 3837/4885

“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.