SCHEMBL5266771

SCHEMBL5266771

COC1CCN(C(=O)c2cc(-c3cc(C)ccn3)n(-c3ccc(C)nc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.42
KDM1A O60341 1/20 0.39
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
MALT1 Q9UDY8 2/20 0.38
NTRK1 P04629 1/20 0.38
CCKAR P32238 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL5273334 0.90 MGLL (0.42) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL14529221 0.89 MGLL (0.44) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL5272729 0.85 MGLL (0.47) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL4924326 0.83 MGLL (0.41) MGLLPTGS2PTGS1EPHX2NTRK1
SCHEMBL5271865 0.83 MGLL (0.44) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL5266809 0.80 MGLL (0.45) MGLLPTGS2PTGS1EPHX2NTRK1
SCHEMBL5269913 0.80 MGLL (0.41) MGLLPTGS2PTGS1EPHX2MALT1
SCHEMBL4927600 0.80 CCKAR (0.42) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL14529769 0.80 NTRK1 (0.48) KDM1ANTRK1
SCHEMBL5269984 0.79 RPA1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MGLL 4176/4885KDM1A 1118/4885PTGS2 4/4885

“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.