SCHEMBL8259797

SCHEMBL8259797

C[Si](C)(C)C#CC(=O)NNc1nc(N)nc2c1cnn2CCN1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.49
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
GRM2 Q14416 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL8257921 0.90 ADORA2A (0.48) ADORA2AHDAC3HDAC2SIGMAR1GRM2
SCHEMBL8256580 0.87 ADORA2A (0.44) ADORA2AHDAC3HDAC2GRM2DRD3
SCHEMBL8436488 0.87 ADORA2A (0.51) ADORA2AHDAC3HDAC2SIGMAR1GRM2
SCHEMBL14922353 0.85 ADORA2A (0.49) ADORA2ASIGMAR1GRM2HTR2CDRD3
SCHEMBL14922351 0.82 ADORA2A (0.48) ADORA2AHDAC3HDAC2SIGMAR1DRD3
SCHEMBL14922349 0.81 ADORA2A (0.48) ADORA2ASIGMAR1GRM2
SCHEMBL8226041 0.81 ADORA2A (0.57) ADORA2ASIGMAR1HTR2C
SCHEMBL14922350 0.78 ADORA2A (0.59) ADORA2ASIGMAR1
SCHEMBL8256412 0.74 ADORA2A (0.54) ADORA2A
SCHEMBL2847129 0.71 ADORA2A (0.41) ADORA2AHDAC3HDAC2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885HDAC3 882/4885HDAC2 1793/4885

“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.