SCHEMBL2271202

SCHEMBL2271202

COc1ccc(N)c(NC(C)CO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.37
PDE6A P16499 4/20 0.37
PIK3CA P42336 1/20 0.36
CXCR2 P25025 4/20 0.36
CX3CR1 P49238 1/20 0.36
CDK1 P06493 4/20 0.34
KDR P35968 4/20 0.34
CA2 P00918 3/20 0.34
CDK2 P24941 3/20 0.34
CDK4 P11802 2/20 0.34
CDK7 P50613 2/20 0.34
CDK9 P50750 2/20 0.34
CCNT1 O60563 1/20 0.34
CCND1 P24385 1/20 0.34
CCNH P51946 1/20 0.34
P2RX3 P56373 3/20 0.34
P2RX2 Q9UBL9 3/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
MAPK8 P45983 2/20 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
SCHEMBL2269199 0.86 TLR8 (0.39) SIRT2SIRT1NNMT
SCHEMBL156899 0.83 NNMT (0.36) SIRT2SIRT1NNMT
SCHEMBL27218090 0.82 APP (0.42) MAPK8MAPK9SIRT2SIRT1NNMT
SCHEMBL2537594 0.80 NNMT (0.34) SIRT2SIRT1NNMT
SCHEMBL624443 0.80 SIRT2 (0.36) SIRT2SIRT1NNMT
SCHEMBL2268915 0.77 KCNA5 (0.39) CDK1CDK2P2RX3P2RX2CCNE1
SCHEMBL6257710 0.76 PDE5A (0.37) PDE5APDE6ACDK1CDK2P2RX3
SCHEMBL94186 0.75 TNF (0.43) PDE5APDE6ASIRT2SIRT1
SCHEMBL29634740 0.75 TNF (0.43) PDE5APDE6ASIRT2SIRT1
SCHEMBL6925238 0.74 POLB (0.34) SIRT2SIRT1NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586302-A1 Dye composition comprising at least one pyrazolopyrimidine as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP claimed
EP-1586303-A1 Dye composition comprising at least one diaminopyrazole as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1457198-A1 Dyeing composition comprising at least one diaminopyrazole precursor and at least one 6-alcoxy 2,3-diaminopyridine coupler L'OREAL (FR) 2004-09-15 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-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP claimed
EP-1405628-A1 Dyeing composition comprising at least one pyrazolopyrimidine oxidation base and at least one 6-alkoxy-2,3-diaminopyrimidine coupler L'OREAL (FR) 2004-04-07 EP claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
EP-2175830-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES ORÉAL L (FR) 2015-09-30 EP disclosed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US disclosed
EP-1586302-A1 Dye composition comprising at least one pyrazolopyrimidine as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP disclosed
EP-1586303-A1 Dye composition comprising at least one diaminopyrazole as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
EP-1457198-A1 Dyeing composition comprising at least one diaminopyrazole precursor and at least one 6-alcoxy 2,3-diaminopyridine coupler L'OREAL (FR) 2004-09-15 EP disclosed
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 disclosed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP disclosed
EP-1405628-A1 Dyeing composition comprising at least one pyrazolopyrimidine oxidation base and at least one 6-alkoxy-2,3-diaminopyrimidine coupler L'OREAL (FR) 2004-04-07 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 (3 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN PDE5A 3390/4885PDE6A 3539/4885PIK3CA 2035/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM PDE5A 4139/4885PDE6A 4075/4885PIK3CA 2861/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 PDE5A 2484/4885PDE6A 2433/4885PIK3CA 2323/4885

“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.