SCHEMBL8226285

SCHEMBL8226285

Cc1nn(COCC[Si](C)(C)C)c2cc(F)c(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.40
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
F2RL1 P55085 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL8889178 0.90 ADORA2A (0.41) DGAT1ADORA2AADORA2BNPC1
SCHEMBL24752570 0.86 DGAT1 (0.39) DGAT1F2RL1NPC1
SCHEMBL14561774 0.84 ADORA2A (0.36) ADORA2AADORA2B
SCHEMBL31104464 0.81 DGAT1 (0.36) DGAT1
SCHEMBL11976878 0.80 DGAT1 (0.43) DGAT1ADORA2AADORA2BNPC1
SCHEMBL4312796 0.80 DGAT1 (0.43) DGAT1ADORA2AADORA2BNPC1
SCHEMBL8226452 0.78 OPRL1 (0.36) DGAT1
SCHEMBL14493341 0.76 ADORA2A (0.37) DGAT1ADORA2AADORA2BNPC1
SCHEMBL31104178 0.76 DGAT1 (0.43) DGAT1F2RL1
SCHEMBL23533512 0.75 DGAT1 (0.34) DGAT1NPC1

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 DGAT1 3934/4885ADORA2A 1/4885ADORA2B 4/4885

“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.