SCHEMBL5694087

SCHEMBL5694087

C=CCOC(=O)Nc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.49
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ MGMT P16455 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TMIGD3 P0DMS9 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ STAT3 P40763 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.38

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
SCHEMBL5694097 0.87 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5694220 0.75 XDH (0.65) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL6268751 0.72 CDK1 (0.69) XDHCDK1CCNB1CCNA2CDK2
SCHEMBL5694094 0.71 XDH (0.51) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL5694204 0.70 BRD4 (0.66) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL28726405 0.70 XDH (0.70) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL5841120 0.70 TP53 (0.49) MEN1KMT2ATMIGD3HTR2CHTR2B
SCHEMBL5194370 0.69 XDH (0.53) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL1996891 0.67 XDH (1.00) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL7064418 0.67 MEN1 (0.41) MEN1KMT2ASMN1; SMN2

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 XDH 998/4885CDK1 447/4885CCNB1 74/4885

“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.

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