SCHEMBL5694081

SCHEMBL5694081

Cc1cn(C(=O)COc2ccccc2)c(=O)nc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL3231404 0.77 KMT2A (0.49) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL5344718 0.76 RAB9A (0.41) KMT2AMEN1GAASMN1; SMN2L3MBTL1
SCHEMBL5694237 0.72 EP300 (0.34) —
SCHEMBL6880479 0.69 KMT2A (0.52) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL5694118 0.68 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALOX15KDM4E
SCHEMBL5694209 0.68 GSK3B (0.61) KMT2AMEN1SMN1; SMN2
SCHEMBL5694098 0.67 XDH (0.54) KMT2AMEN1SMN1; SMN2USP2
SCHEMBL28484041 0.66 MAPK1 (0.54) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL1223928 0.65 SMN1; SMN2 (0.39) GAASMN1; SMN2ALOX15
SCHEMBL9243904 0.64 ALOX15 (0.95) KMT2AMEN1SMN1; SMN2POLBALOX15

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB KMT2A 1088/4885MEN1 467/4885GAA 3189/4885

“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.

Send feedback