SCHEMBL2055587

SCHEMBL2055587

NC(=O)Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)N[Ru]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.37
TRPV1 Q8NER1 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KIF11 P52732 2/20 0.35
EPAS1 Q99814 1/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
IL2 P60568 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
SCHEMBL2086786 0.88 TRPV1 (0.40) NR3C1TRPV1
SCHEMBL2084824 0.87 GPR119 (0.42) NR3C1GAAMAPT
SCHEMBL2055582 0.85 MAPT (0.35) NR3C1TRPV1MGAMGAASI
SCHEMBL2055577 0.85 NR3C1 (0.39) NR3C1TRPV1MGAMGAASI
SCHEMBL2055576 0.85 NR3C1 (0.37) NR3C1TRPV1MGAMGAASI
SCHEMBL2055578 0.84 NR3C1 (0.37) NR3C1TRPV1MGAMGAASI
SCHEMBL4114463 0.82 NR3C1 (0.37) NR3C1TRPV1MGAMGAASI
SCHEMBL2055567 0.81 GPR119 (0.39) NR3C1TRPV1MGAMGAASI
SCHEMBL2087359 0.81 MAP4K4 (0.42) NR3C1GAAEPAS1MAPTDYRK1A
SCHEMBL2085659 0.79 BACE1 (0.39) NR3C1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR NR3C1 268/4885TRPV1 56/4885MGAM 4871/4885

“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.