SCHEMBL8221535

SCHEMBL8221535

CC(C)c1cc(-c2noc(C(C)(C)O)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ HDAC4 P56524 14/20 0.43
▸ HDAC6 Q9UBN7 7/20 0.43
▸ HPGDS O60760 5/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL12021977 0.81 HDAC4 (0.43) HDAC4HDAC6HPGDSHDAC1
SCHEMBL8282014 0.81 HPGDS (0.43) ABCB1CYP2D6CCR6HDAC4HDAC6
SCHEMBL8221319 0.79 L3MBTL1 (0.54) —
SCHEMBL8226483 0.76 ITGB2 (0.33) —
SCHEMBL8226480 0.76 ACACB (0.46) —
SCHEMBL8415601 0.75 SIRT2 (0.48) —
SCHEMBL8221251 0.73 MAPK1 (0.57) —
SCHEMBL8226451 0.72 NPY2R (0.41) ABCB1CYP2D6CCR6HDAC4HDAC6
SCHEMBL15299214 0.71 NR1H4 (0.51) HDAC4HDAC6HPGDS
SCHEMBL11025421 0.71 HPGDS (0.53) ABCB1CYP2D6CCR6HDAC4HDAC6

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-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
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 ABCB1 423/4885CYP2D6 1749/4885CCR6 2171/4885

“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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