SCHEMBL8226165

SCHEMBL8226165

Cc1nc(-c2ccc(F)c(Br)c2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PLK1 P53350 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA5 P30532 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ S1PR1 P21453 3/20 0.40

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
SCHEMBL25384005 0.87 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL14363620 0.85 L3MBTL1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL8418331 0.83 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9
SCHEMBL12267055 0.83 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9
SCHEMBL12021892 0.81 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL14561488 0.81 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL14363616 0.81 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL8282433 0.81 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL25383050 0.81 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL5117600 0.80 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 — — US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 — — US disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 — — EP 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-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 L3MBTL1 4142/4885CA12 4809/4885CA1 3419/4885

“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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