SCHEMBL2126973

SCHEMBL2126973

Cc1cc(N2CCC(NC(=N)N(C)C)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HRH4 Q9H3N8 7/20 0.35
LGMN Q99538 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
EED O75530 2/20 0.34
MDM4 O15151 1/20 0.34
THRB P10828 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
Hydrochloric Acid SCHEMBL4626293 0.99 GAA (0.40) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4626282 0.99 GAA (0.40) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL2126969 0.86 GAA (0.44) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4627803 0.85 GAA (0.43) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4627790 0.85 GAA (0.43) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL2127975 0.85 GFER (0.38) GAARAD52MTNR1AMTNR1BHRH4
Hydrochloric Acid SCHEMBL4625068 0.84 KDM4E (0.38) GAARAD52MTNR1AMTNR1BHRH4
SCHEMBL6504795 0.78 GAA (0.51) GAARAD52HRH4LGMN
SCHEMBL7242505 0.76 SUV39H2 (0.50) SUV39H2
SCHEMBL6285772 0.74 AKT1 (0.48) GAARAD52SUV39H2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP claimed
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-6946005-B2 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-09-20 US claimed
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof L'OREAL (FR) 2004-10-21 US claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-10-07 US claimed
EP-1428508-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a monosaccharide or disaccharide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428515-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428513-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a opacifying or pearlescent agent; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428507-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and an organic diacid, process and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428517-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a vitamine derivative; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428506-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polymere containing a fatty chain; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428516-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol ester; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428512-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and a paraaminophenol, process and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428511-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic polymer; method and use L'OREAL (FR) 2004-06-16 EP claimed
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres SABELLE STEPHANE (FR) 2003-12-18 US claimed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH GAA 4851/4885RAD52 290/4885MTNR1A 556/4885
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 GAA 4822/4885RAD52 651/4885MTNR1A 2865/4885
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 GAA 4822/4885RAD52 651/4885MTNR1A 2865/4885
US-20040205904-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a vitamin derivative, processes therefor and uses thereof KRT18, PPHLN1, PYCR1 GAA 4705/4885RAD52 1134/4885MTNR1A 2138/4885

“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.