SCHEMBL2268073

SCHEMBL2268073

CCn1cnc2c(O)ccc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.40
ADORA1 P30542 2/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
IDO1 P14902 1/20 0.36
COMT P21964 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.34
SLC6A2 P23975 1/20 0.34
ADORA2B P29275 2/20 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
SCHEMBL2268088 0.85 ADORA2A (0.42) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL2270147 0.82 ADORA2A (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL12894977 0.74 HTR2A (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2268104 0.74 SLC6A2 (0.37) ADORA2AADORA1CDK2PDE4APDE4B
Bromide SCHEMBL11354415 0.72 SLC6A2 (0.36) ADORA2AADORA1CDK2PDE4APDE4B
SCHEMBL8279123 0.71 CNR1 (0.41) CDK1CCNB1PDE4APDE4BPDE4C
SCHEMBL18323583 0.71 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10027222 0.70 SMN1; SMN2 (0.54) PDE4APDE4BPDE4CPDE4DCOMT
SCHEMBL18323573 0.69 ADORA2A (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9195572 0.68 SMN1; SMN2 (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO 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-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
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO 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

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-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 ADORA2A 4850/4885ADORA1 4473/4885PI4KA 3455/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 ADORA2A 4717/4885ADORA1 4230/4885PI4KA 3936/4885

“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.