SCHEMBL4932389

SCHEMBL4932389

COc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2cccnc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
PTGS2 P35354 10/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.44
PIK3CD O00329 2/20 0.42
PIK3R2 O00459 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3R5 Q8WYR1 2/20 0.42
PIK3R3 Q92569 2/20 0.42
SMPD1 P17405 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5162928 0.87 ALDH1A1 (0.38) MGLLPTGS2LMNA
SCHEMBL4927321 0.86 MGLL (0.56) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL4931612 0.83 MARS1 (0.51) MEN1KMT2A
SCHEMBL4929746 0.83 MGLL (0.51) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL4933534 0.82 NFE2L2 (0.41) MGLLPTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL2919194 0.81 PTGS2 (0.49) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL2912233 0.80 PTGS2 (0.51) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL4927988 0.80 MGLL (0.49) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL4932636 0.79 MGLL (0.53) MGLLPTGS2MEN1MAPTKMT2A
SCHEMBL5529669 0.78 CNR1 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MGLL 4785/4885PTGS2 2158/4885MEN1 3847/4885

“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.