SCHEMBL2087359

SCHEMBL2087359

Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
NR3C1 P04150 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
EPAS1 Q99814 1/20 0.35
JAK2 O60674 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
USP7 Q93009 1/20 0.34

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
SCHEMBL4124278 0.89 MAP4K4 (0.46) MAP4K4ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL2087342 0.88 GPR119 (0.41) GPR119DYRK1ADYRK2NR3C1GPBAR1
SCHEMBL2087112 0.88 GPR119 (0.36) MAP4K4ALDH1A1MAPTGPR119DYRK1A
SCHEMBL2055588 0.87 GPR119 (0.38) MAP4K4ALDH1A1MAPTGPR119DYRK1A
SCHEMBL2083585 0.86 GPR119 (0.45) ALDH1A1CYP1A2MAPTCYP2C19GPR119
SCHEMBL4121564 0.85 NR3C1 (0.39) MAPTGPR119DYRK1ADYRK2NR3C1
SCHEMBL2084115 0.85 CNR2 (0.39) ALDH1A1MAPTCYP2C9CYP2C19GPR119
SCHEMBL4108340 0.83 PTGDR2 (0.38) GPR119GAAGPBAR1
SCHEMBL2085649 0.83 NR3C1 (0.39) MAP4K4ALDH1A1MAPTNR3C1MEN1
SCHEMBL4115655 0.82 GPR119 (0.43) MAP4K4ALDH1A1MAPTGPR119GAA

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 7 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-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST 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 MAP4K4 2146/4885ALDH1A1 2507/4885CYP1A2 2063/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR MAP4K4 2232/4885ALDH1A1 2256/4885CYP1A2 1869/4885

“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.