SCHEMBL7522734

SCHEMBL7522734

CCCCNc1cc(N(C)C)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.65
NUDT1 P36639 1/20 0.58
DNM2 P50570 7/20 0.48
HRH4 Q9H3N8 1/20 0.43
TLR7 Q9NYK1 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL7164892 0.90 NUDT1 (0.62) TLR8NUDT1DNM2HRH4ESR1
SCHEMBL9651803 0.86 TLR8 (0.63) TLR8NUDT1HRH4TLR7ALDH1A1
SCHEMBL9182270 0.83 NUDT1 (0.66) TLR8NUDT1DNM2HRH4SMN1; SMN2
SCHEMBL16543306 0.83 DNM2 (0.52) TLR8NUDT1DNM2ALDH1A1LMNA
SCHEMBL20434279 0.80 TLR8 (0.73) TLR8HRH4TLR7ALDH1A1LMNA
SCHEMBL20434306 0.79 TLR8 (1.00) TLR8DNM2TLR7ALDH1A1LMNA
SCHEMBL8600881 0.78 TLR8 (0.69) TLR8HRH4TLR7ALDH1A1LMNA
SCHEMBL20434304 0.75 TLR8 (0.65) TLR8TLR7ALDH1A1LMNATP53
SCHEMBL20109484 0.74 NUDT1 (1.00) NUDT1
SCHEMBL2849398 0.74 TLR8 (0.90) TLR8DNM2HRH4TLR7ALDH1A1

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 8 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
US-9480663-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-9480663-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US 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 (2 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-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885NUDT1 222/4885DNM2 1512/4885
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide TYR, TH, MC1R TLR8 3499/4885NUDT1 38/4885DNM2 3991/4885

“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.