SCHEMBL6402618

SCHEMBL6402618

CCCCOc1cc(N)[n+]([O-])c(N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.37
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
PIN1 Q13526 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6397725 0.94 TLR8 (0.40) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL6403131 0.94 TLR8 (0.40) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL6401579 0.94 TLR8 (0.40) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL8689288 0.86 MEN1 (0.38) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL6402675 0.86 MAPT (0.38) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL6403682 0.85 ALDH1A1 (0.41) TLR8MEN1KMT2AMAPTTSHR
SCHEMBL7637855 0.82 MEN1 (0.36) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL7636319 0.81 MEN1 (0.38) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL8692203 0.81 MAPT (0.37) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL7638274 0.80 MAPT (0.37) TLR8CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US claimed
EP-0494005-B1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof OREAL (FR) 1997-02-05 EP claimed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP claimed
EP-0356271-B1 2,4-Diamino-pyrimidine-3-oxide derivatives and their use in the treatment and the prevention of hair drop OREAL (FR) 1995-04-05 EP claimed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US claimed
US-4973474-A 2,4-diaminopyrimidine 3-oxide derivatives and their use for the treatment and prevention of hair loss L'OREAL (FR) 1990-11-27 US claimed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
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
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US disclosed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP disclosed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP disclosed
US-5466694-A Hair growth regulators L'OREAL (FR) 1995-11-14 US disclosed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US disclosed
US-4973474-A 2,4-diaminopyrimidine 3-oxide derivatives and their use for the treatment and prevention of hair loss L'OREAL (FR) 1990-11-27 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-20050049232-A1 Composition CUTA, LIPG, LIPA TLR8 2389/4885CDK1 3554/4885CCNB1 1533/4885

“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.