SCHEMBL8226469

SCHEMBL8226469

CC(C)c1cc(Cn2cccn2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KLKB1 P03952 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37

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
SCHEMBL21316944 0.83 GAA (0.51) HTTGAAMAPTMEN1TSHR
SCHEMBL1457252 0.82 GAA (0.51) HTTGAAMAPTMEN1TSHR
SCHEMBL25956018 0.80 GAA (0.51) HTTGAAMAPTMEN1TSHR
SCHEMBL13122968 0.80 HTT (0.42) HTTGAAMAPTMEN1TSHR
SCHEMBL20232812 0.78 GAA (0.43) HTTGAAMAPTMEN1TSHR
SCHEMBL8226215 0.78 HDAC1 (0.48) HTTGAAMAPTMEN1TSHR
SCHEMBL17786932 0.75 HTT (0.46) HTTGAAMAPTMEN1TSHR
SCHEMBL19366156 0.75 HTT (0.40) HTTGAAMAPTMEN1TSHR
SCHEMBL12278150 0.75 GAA (0.59) HTTGAAMAPTMEN1TSHR
SCHEMBL17310038 0.75 GAA (0.55) HTTGAAMAPTMEN1TSHR

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-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HTT 381/4885GAA 2805/4885MAPT 1773/4885

“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.