SCHEMBL5694286

SCHEMBL5694286

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(=O)[nH]c(N=CN(C)C)nc32)O[C@@H]1COP(=O)(O)OC(CCC#N)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N=CN(C)C)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 7/20 0.36
▸ IMPDH1 P20839 2/20 0.35
▸ KRAS P01116 3/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ FUT5 Q11128 1/20 0.34
▸ RNASEL Q05823 2/20 0.32
▸ NT5E P21589 1/20 0.32

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
SCHEMBL5694266 0.92 P2RY12 (0.35) IMPDH2KRASTAS1R3TAS1R1
SCHEMBL5694309 0.91 P2RY6 (0.35) IMPDH2IMPDH1KRASTAS1R3TAS1R1
SCHEMBL5694292 0.90 IMPDH2 (0.39) IMPDH2IMPDH1KRASTAS1R3TAS1R1
SCHEMBL5694137 0.87 IMPDH2 (0.38) IMPDH2IMPDH1KRASTAS1R3TAS1R1
SCHEMBL5694277 0.83 TAS1R3 (0.36) IMPDH2IMPDH1KRASTAS1R3TAS1R1
SCHEMBL5694206 0.82 P2RY12 (0.36) IMPDH2KRASTAS1R3TAS1R1NT5E
SCHEMBL5908154 0.82 POLB (0.38) IMPDH2KRASTAS1R3TAS1R1FUT5
SCHEMBL5694326 0.82 P2RY6 (0.37) IMPDH2IMPDH1KRASTAS1R3TAS1R1
SCHEMBL5908163 0.74 TERT (0.35) —
SCHEMBL5908148 0.74 POLB (0.35) IMPDH2KRASTAS1R3TAS1R1FUT5

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 IMPDH2 259/4885IMPDH1 309/4885KRAS 1212/4885

“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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