SCHEMBL1833602

SCHEMBL1833602

Cc1cn2ncc(N)c2nc1N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 14/20 0.49
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7452681 0.85 SMPD3 (0.49) SMPD3ALDH1A1
SCHEMBL21893829 0.71 SMPD3 (0.48) SMPD3
SCHEMBL16946878 0.69 SMPD3 (0.49) SMPD3ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL22835004 0.69 SMPD3 (0.47) SMPD3
SCHEMBL3833766 0.69 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL7460458 0.69 SMPD3 (0.67) SMPD3ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL29243906 0.68 SMPD3 (0.65) SMPD3ALDH1A1HPGDHSD17B10
SCHEMBL14203328 0.66 SMPD3 (1.00) SMPD3
SCHEMBL7457172 0.66 SMPD3 (0.57) SMPD3
SCHEMBL4395064 0.65 SMPD3 (0.52) SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
EP-2352483-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT Henkel AG & Co. KGaA (DE) 2011-08-10 EP disclosed
EP-2320868-A2 HAIR PREPARATION COMPRISING SPIRULINA EXTRACT Henkel AG & Co. KGaA (DE) 2011-05-18 EP disclosed
WO-2010060730-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT HENKEL AG & CO. KGAA (DE) 2010-06-03 WO disclosed
WO-2010029005-A2 HAIR PREPARATION COMPRISING SPIRULINA EXTRACT HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US disclosed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 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-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 SMPD3 4708/4885ALDH1A1 389/4885HPGD 168/4885

“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.