SCHEMBL2086834

SCHEMBL2086834

NC(=O)C1(NC(=O)c2c(N)nn3c(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4Cl)cnc23)CCS(=O)(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.34
GPR119 Q8TDV5 3/20 0.34
CNR1 P21554 4/20 0.34
LCK P06239 2/20 0.34
HCK P08631 2/20 0.34
KDR P35968 2/20 0.34
SRC P12931 1/20 0.34
EPAS1 Q99814 1/20 0.33
NPY5R Q15761 1/20 0.33
DGAT2 Q96PD7 3/20 0.33
ATR Q13535 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
SCHEMBL2085403 0.89 CNR1 (0.35) NR3C1GPR119CNR1LCKHCK
SCHEMBL2084818 0.87 GPR119 (0.38) NR3C1GPR119CNR1LCKHCK
SCHEMBL2085193 0.87 GPR119 (0.36) NR3C1GPR119CNR1
SCHEMBL2085671 0.84 DGAT2 (0.40) DGAT2
SCHEMBL2084196 0.83 DGAT2 (0.40) DGAT2
SCHEMBL2086301 0.83 DGAT2 (0.39) GPR119DGAT2
SCHEMBL2083492 0.83 NR3C1 (0.35) NR3C1GPR119
SCHEMBL2055575 0.82 DGAT2 (0.40) DGAT2
SCHEMBL2084467 0.82 DGAT2 (0.40) DGAT2
SCHEMBL2085366 0.81 DGAT2 (0.40) DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR3C1 293/4885GPR119 224/4885CNR1 1/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR NR3C1 268/4885GPR119 190/4885CNR1 1/4885

“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.