SCHEMBL905197

SCHEMBL905197

CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.80
TLR8 Q9NR97 1/20 0.71

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 SCHEMBL2896839 0.99 TLR7 (0.78) TLR7TLR8
SCHEMBL2850650 0.97 TLR7 (0.80) TLR7TLR8
SCHEMBL14472185 0.89 TLR7 (0.81) TLR7TLR8
SCHEMBL2850705 0.89 TLR7 (1.00) TLR7
SCHEMBL853068 0.87 TLR7 (0.74) TLR7TLR8
SCHEMBL2851365 0.87 TLR7 (0.74) TLR7TLR8
SCHEMBL6419789 0.87 TLR8 (0.93) TLR7TLR8
SCHEMBL14472151 0.87 TLR7 (0.82) TLR7TLR8
SCHEMBL14472148 0.86 TLR7 (0.82) TLR7TLR8
SCHEMBL2848503 0.86 TLR7 (0.82) TLR7TLR8

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-2435412-B1 SACCHARIN, FUMARIC ACID, 1-HYDROXY-2-NAPHTHOIC ACID AND BENZOIC ACID SALTS OF 4-(DIMETHYLAMINO)BUTYL 2-(4-((2-AMINO-4-METHYL-6-(PENTYLAMINO)PYRIMIDIN-5-YL)METHYL)PHENYL)ACETATE ASTRAZENECA AB (SE) 2016-01-27 EP claimed
EP-2222648-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2013-01-09 EP claimed
EP-2435412-B1 SACCHARIN, FUMARIC ACID, 1-HYDROXY-2-NAPHTHOIC ACID AND BENZOIC ACID SALTS OF 4-(DIMETHYLAMINO)BUTYL 2-(4-((2-AMINO-4-METHYL-6-(PENTYLAMINO)PYRIMIDIN-5-YL)METHYL)PHENYL)ACETATE ASTRAZENECA AB (SE) 2016-01-27 EP disclosed
EP-2435412-B1 SACCHARIN, FUMARIC ACID, 1-HYDROXY-2-NAPHTHOIC ACID AND BENZOIC ACID SALTS OF 4-(DIMETHYLAMINO)BUTYL 2-(4-((2-AMINO-4-METHYL-6-(PENTYLAMINO)PYRIMIDIN-5-YL)METHYL)PHENYL)ACETATE ASTRAZENECA AB (SE) 2016-01-27 EP disclosed
EP-2435412-B1 SACCHARIN, FUMARIC ACID, 1-HYDROXY-2-NAPHTHOIC ACID AND BENZOIC ACID SALTS OF 4-(DIMETHYLAMINO)BUTYL 2-(4-((2-AMINO-4-METHYL-6-(PENTYLAMINO)PYRIMIDIN-5-YL)METHYL)PHENYL)ACETATE ASTRAZENECA AB (SE) 2016-01-27 EP disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-8476288-B2 Salts 756 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476288-B2 Salts 756 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476288-B2 Salts 756 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-20130045955-A1 NOVEL COMPOUNDS BENNETT NICHOLAS J (GB) 2013-02-21 US disclosed
EP-2222648-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2013-01-09 EP disclosed
WO-2010133882-A1 DISACCHARIN, DIFUMARIC ACID, DI-L-HYDROXY-2-NAPHTHOIC ACID AND MONO-BENZOIC ACID SALTS OF 4- (DIMETHYLAMIN0)BUTYL 2- (4- ( (2-AMINO-4-METHYL-6- (PENTYLAMINO) PYRIMIDIN- 5 -YL) METHYL) PHENYL)ACETATE ASTRAZENECA AB (SE) 2010-11-25 WO disclosed
WO-2010133882-A1 DISACCHARIN, DIFUMARIC ACID, DI-L-HYDROXY-2-NAPHTHOIC ACID AND MONO-BENZOIC ACID SALTS OF 4- (DIMETHYLAMIN0)BUTYL 2- (4- ( (2-AMINO-4-METHYL-6- (PENTYLAMINO) PYRIMIDIN- 5 -YL) METHYL) PHENYL)ACETATE ASTRAZENECA AB (SE) 2010-11-25 WO disclosed
WO-2010133882-A1 DISACCHARIN, DIFUMARIC ACID, DI-L-HYDROXY-2-NAPHTHOIC ACID AND MONO-BENZOIC ACID SALTS OF 4- (DIMETHYLAMIN0)BUTYL 2- (4- ( (2-AMINO-4-METHYL-6- (PENTYLAMINO) PYRIMIDIN- 5 -YL) METHYL) PHENYL)ACETATE ASTRAZENECA AB (SE) 2010-11-25 WO disclosed
US-20100298364-A1 SALTS 756 ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100298364-A1 SALTS 756 ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100298364-A1 SALTS 756 ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2222648-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS AstraZeneca AB (SE) 2010-09-01 EP disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
WO-2009067081-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2009-05-28 WO 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-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 TLR7 3271/4885TLR8 4435/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR TLR7 2987/4885TLR8 4332/4885
US-20100298364-A1 SALTS 756 SLC10A6, SLC10A1, SLC6A6 TLR7 1895/4885TLR8 4004/4885

“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.