SCHEMBL4933566

SCHEMBL4933566

CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MDM2 Q00987 3/20 0.49
MMP13 P45452 3/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
FAAH O00519 3/20 0.44
BCL2 P10415 2/20 0.44
MCL1 Q07820 2/20 0.44
POLB P06746 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL4927623 0.93 MDM2 (0.57) KMT2AMEN1ALDH1A1MDM2TP53
SCHEMBL5271389 0.90 MDM2 (0.48) KMT2AMEN1ALDH1A1MDM2TP53
SCHEMBL4923110 0.89 MDM2 (0.62) KMT2AMEN1ALDH1A1MDM2MMP13
SCHEMBL5526183 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1MDM2TP53
SCHEMBL5269418 0.86 MDM2 (0.46) KMT2AMEN1ALDH1A1MDM2TP53
SCHEMBL4923427 0.86 KMT2A (0.53) KMT2AMEN1ALDH1A1TP53GAA
SCHEMBL5527916 0.85 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MDM2MMP13
SCHEMBL4927987 0.85 KMT2A (0.54) KMT2AMEN1ALDH1A1TP53GAA
SCHEMBL4927603 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1MDM2TP53
SCHEMBL5518559 0.84 MDM2 (0.48) KMT2AMEN1ALDH1A1MDM2BCL2

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-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 KMT2A 1719/4885MEN1 3847/4885ALDH1A1 248/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 KMT2A 2339/4885MEN1 2899/4885ALDH1A1 171/4885

“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.