SCHEMBL12733271

SCHEMBL12733271

Nc1nc2ccccc2c2cc(C#Cc3ccccc3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.49
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ADORA3 P0DMS8 6/20 0.41
ADORA1 P30542 4/20 0.41
GRM5 P41594 3/20 0.41
CLK1 P49759 1/20 0.41
DHFR P00374 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GRM4 Q14833 1/20 0.39
EGFR P00533 1/20 0.38
ADK P55263 1/20 0.38
DCPS Q96C86 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL1357337 0.91 ADORA2A (0.47) ADORA2APDGFRBPDGFRAADORA3ADORA1
SCHEMBL1008600 0.91 ADORA2A (0.42) ADORA2APDGFRBPDGFRAADORA3ADORA1
SCHEMBL1061297 0.88 ADORA2A (0.48) ADORA2APDGFRBPDGFRAADORA3ADORA1
SCHEMBL1007483 0.88 ADORA2A (0.48) ADORA2AADORA3GRM5
SCHEMBL1357793 0.86 ADORA2A (0.43) ADORA2AADORA3ADORA1GRM5CLK1
SCHEMBL1062041 0.86 CYP2A6 (0.39) ADORA2APDGFRBPDGFRAADORA3ADORA1
SCHEMBL1008964 0.86 ADORA2A (0.38) ADORA2AADORA3ADORA1GRM5CLK1
SCHEMBL1056339 0.85 TLR7 (0.42) ADORA2AADORA3ADORA1CLK1TLR8
SCHEMBL1063257 0.85 ADORA2A (0.40) ADORA2APDGFRBPDGFRAADORA3ADORA1
SCHEMBL1008427 0.83 TLR7 (0.46) TLR8TLR7

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
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 ADORA2A 596/4885PDGFRB 3091/4885PDGFRA 3347/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 ADORA2A 596/4885PDGFRB 3091/4885PDGFRA 3347/4885

“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.