SCHEMBL7164892

SCHEMBL7164892

CCCNc1cc(N(C)C)nc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.62
TLR8 Q9NR97 3/20 0.51
HRH4 Q9H3N8 6/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
DNM2 P50570 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL7522734 0.90 TLR8 (0.65) NUDT1TLR8HRH4ESR1ESR2
SCHEMBL9182270 0.86 NUDT1 (0.66) NUDT1TLR8HRH4CYP2D6CYP2C19
SCHEMBL7712160 0.83 ESR1 (0.57) NUDT1TLR8ESR1ESR2CYP2C19
SCHEMBL8585646 0.77 TLR8 (0.81) TLR8HRH4ESR1ESR2CYP2D6
SCHEMBL20109484 0.77 NUDT1 (1.00) NUDT1
SCHEMBL9651803 0.76 TLR8 (0.63) NUDT1TLR8HRH4CYP2D6CYP2C19
SCHEMBL8597545 0.76 CYP2D6 (0.70) TLR8HRH4ESR1ESR2CYP2D6
SCHEMBL1576638 0.73 NUDT1 (0.65) NUDT1HRH4HRH3
SCHEMBL21016705 0.72 DNM2 (0.50) HRH4ESR1ESR2CYP2D6CYP2C19
SCHEMBL9178127 0.72 NUDT1 (0.66) NUDT1HRH4CYP2D6

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
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide PRUCHE FRANCIS (FR) 2002-08-01 US claimed
US-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 US claimed
EP-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 EP claimed
EP-0519819-A1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide L'OREAL (FR) 1992-12-23 EP claimed
EP-0736300-B1 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase OREAL (FR) 2003-03-05 EP disclosed
EP-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 EP disclosed
EP-0519819-A1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide L'OREAL (FR) 1992-12-23 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-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide TYR, TH, MC1R NUDT1 38/4885TLR8 3499/4885HRH4 412/4885

“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.