SCHEMBL8220969

SCHEMBL8220969

CC(C)(C)[Si](C)(C)OC(c1ccc(F)c(Br)c1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.36
▸ RXRA P19793 10/20 0.33
▸ GRIN1 Q05586 10/20 0.33
▸ GRIN2B Q13224 10/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ PFKFB3 Q16875 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
SCHEMBL8281102 0.84 APLNR (0.34) APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL13862140 0.84 APLNR (0.34) APLNRSLC6A2SLC6A4SLC6A3
SCHEMBL8282772 0.79 APLNR (0.42) APLNRRXRAGRIN1GRIN2BPARP1
SCHEMBL8220973 0.79 APLNR (0.42) APLNRRXRAGRIN1GRIN2BPARP1
SCHEMBL8221396 0.77 SOS1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL8256522 0.77 SOS1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL5881157 0.74 IDO1 (0.39) APLNR
SCHEMBL8282301 0.73 IDO1 (0.37) —
SCHEMBL8257649 0.73 KDM4E (0.36) PARP1
SCHEMBL18192822 0.72 APLNR (0.40) APLNRPARP1

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 5 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-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
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 — — WO 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
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 APLNR 1005/4885RXRA 350/4885GRIN1 96/4885

“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.

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