SCHEMBL8221285

SCHEMBL8221285

Cc1ncc(-c2ccc(F)c(C(C)C)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA1 P00915 3/20 0.47
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRIN1 Q05586 3/20 0.42
▸ GRIN2B Q13224 3/20 0.42
▸ HDAC4 P56524 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ GSK3B P49841 7/20 0.38
▸ DYRK1A Q13627 7/20 0.38

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
SCHEMBL8281254 0.82 CA12 (0.54) CA12CA2CA9CA1POLB
SCHEMBL8226801 0.79 CA12 (0.51) CA12CA2CA9CA1POLB
SCHEMBL12021773 0.79 CA12 (0.48) CA12CA2CA9CA1POLB
SCHEMBL8281998 0.79 CA12 (0.51) CA12CA2CA9CA1POLB
SCHEMBL25092414 0.78 CA12 (0.50) CA12CA2CA9CA1POLB
SCHEMBL8226419 0.75 NOTUM (0.44) MAPTLMNAGRIN1GRIN2BGSK3B
SCHEMBL9254887 0.75 CA12 (0.54) CA12CA2CA9CA1TP53
SCHEMBL10263007 0.74 CA12 (0.57) CA12CA2CA9CA1POLB
SCHEMBL20928890 0.74 LRRK2 (0.39) CA12CA2CA9CA1POLB
SCHEMBL8226400 0.74 PTGS2 (0.35) GRIN1GRIN2B

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 CA12 4809/4885CA2 3611/4885CA9 4752/4885

“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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