SCHEMBL1754261

SCHEMBL1754261

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
GPBAR1 Q8TDU6 6/20 0.36
KLRK1 P26718 2/20 0.36
MICA Q29983 2/20 0.36
RAET1L Q5VY80 1/20 0.36
BACE1 P56817 1/20 0.35
TACR1 P25103 5/20 0.35
TACR3 P29371 4/20 0.34
NR3C1 P04150 2/20 0.34
GPR119 Q8TDV5 2/20 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
SCHEMBL2085659 0.90 BACE1 (0.39) MAPTRECQLGPBAR1BACE1NR3C1
SCHEMBL1755053 0.85 MAPT (0.38) MAPTRECQLBACE1TACR1NR3C1
SCHEMBL2055576 0.81 NR3C1 (0.37) MAPTRECQLGPBAR1KLRK1MICA
SCHEMBL2055578 0.80 NR3C1 (0.37) MAPTRECQLGPBAR1NR3C1GPR119
SCHEMBL2055588 0.78 GPR119 (0.38) MAPTRECQLGPBAR1BACE1NR3C1
SCHEMBL2083492 0.77 NR3C1 (0.35) MAPTRECQLNR3C1GPR119
SCHEMBL1754332 0.77 KMT2A (0.34) MAPTRECQLBACE1TACR1NR3C1
SCHEMBL4114463 0.76 NR3C1 (0.37) MAPTRECQLGPBAR1TACR1TACR3
SCHEMBL1755046 0.76 CNR1 (0.34) BACE1
SCHEMBL1754005 0.76 DGAT2 (0.35) BACE1NR3C1

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
EP-2520577-B1 Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonists MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP claimed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US claimed
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 MAPT 4458/4885RECQL 2260/4885GPBAR1 360/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR MAPT 4396/4885RECQL 2599/4885GPBAR1 330/4885

“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.