SCHEMBL2087112

SCHEMBL2087112

NS(=O)(=O)c1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
MAP4K4 O95819 2/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
NR3C1 P04150 4/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
ALOX5 P09917 1/20 0.33
GPBAR1 Q8TDU6 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2055582 0.90 MAPT (0.35) GPR119PTGS2PTGS1NR3C1EPHX2
SCHEMBL2086350 0.90 PTGS2 (0.39) MAP4K4PTGS2PTGS1MAPTEGLN1
SCHEMBL2084105 0.90 PTGS2 (0.38) MAP4K4PTGS2PTGS1MAPTEGLN1
SCHEMBL2055585 0.88 GPBAR1 (0.37) GPR119GPBAR1
SCHEMBL2087359 0.88 MAP4K4 (0.42) GPR119MAP4K4DYRK1ADYRK2NR3C1
SCHEMBL1754467 0.86 MAPT (0.35) GPR119PTGS2NR3C1MAPTRECQL
SCHEMBL2083579 0.86 MAPT (0.39) GPR119NR3C1MAPTRECQLALDH1A1
SCHEMBL1753996 0.85 GPR119 (0.34) GPR119NR3C1MAPTRECQLGPBAR1
SCHEMBL1754410 0.85 MAPT (0.39) GPR119NR3C1MAPTRECQLALDH1A1
SCHEMBL1754255 0.85 TRPV1 (0.40) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-B1 Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonists MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR GPR119 224/4885MAP4K4 2146/4885DYRK1A 1612/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR GPR119 190/4885MAP4K4 2232/4885DYRK1A 1476/4885

“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.