SCHEMBL4929968

SCHEMBL4929968

CCOC(=O)c1cc(-c2cnc(C(N)=O)cn2)n(-c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA9 Q16790 3/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.42
CHRNA7 P36544 2/20 0.41
SCN9A Q15858 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4926857 0.93 KMT2A (0.55) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4932148 0.89 KMT2A (0.54) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4923347 0.85 MARS1 (0.53) KMT2AMEN1
SCHEMBL5526223 0.85 KMT2A (0.52) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4927987 0.85 KMT2A (0.54) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4923427 0.84 KMT2A (0.53) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL5517585 0.84 KMT2A (0.58) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL5517559 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4927109 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL5526183 0.83 KMT2A (0.48) KMT2AMEN1ALDH1A1CA9GAA

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-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

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 KMT2A 1719/4885MEN1 3847/4885ALDH1A1 248/4885

“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.