SCHEMBL2901496

SCHEMBL2901496

CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1.CS(=O)(=O)O

nearest known ligand 0.95

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.95

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
SCHEMBL904375 0.97 TLR7 (1.00) TLR7
SCHEMBL2849235 0.95 TLR7 (1.00) TLR7
Phosphoric Acid SCHEMBL2901247 0.94 TLR7 (0.93) TLR7
Succinic Acid SCHEMBL2901412 0.93 TLR7 (0.92) TLR7
Succinic Acid SCHEMBL2898930 0.93 TLR7 (0.92) TLR7
Fumaric Acid SCHEMBL2902019 0.93 TLR7 (0.90) TLR7
Fumaric Acid SCHEMBL2902017 0.93 TLR7 (0.90) TLR7
SCHEMBL2848225 0.92 TLR7 (1.00) TLR7
Pyrophosphoric Acid SCHEMBL2899330 0.92 TLR7 (0.89) TLR7
SCHEMBL2894134 0.92 TLR7 (0.82) TLR7

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 4 patents. 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 disclosed
US-8476288-B2 Salts 756 ASTRAZENECA AB (SE) 2013-07-02 US 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

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-20100298364-A1 SALTS 756 SLC10A6, SLC10A1, SLC6A6 TLR7 1895/4885

“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.