SCHEMBL5694326

SCHEMBL5694326

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](F)[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)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](F)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 7/20 0.37
▸ P2RY14 Q15391 2/20 0.37
▸ NT5E P21589 1/20 0.36
▸ IMPDH2 P12268 6/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ KRAS P01116 2/20 0.34
▸ P2RY2 P41231 3/20 0.33
▸ P2RY4 P51582 3/20 0.33
▸ IMPDH1 P20839 2/20 0.33
▸ TGM2 P21980 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
SCHEMBL5694206 0.92 P2RY12 (0.36) P2RY6NT5EIMPDH2TAS1R3TAS1R1
SCHEMBL5694309 0.92 P2RY6 (0.35) P2RY6P2RY14NT5EIMPDH2TAS1R3
SCHEMBL5694292 0.91 IMPDH2 (0.39) NT5EIMPDH2TAS1R3TAS1R1KRAS
SCHEMBL5908148 0.86 POLB (0.35) P2RY6P2RY14NT5EIMPDH2TAS1R3
SCHEMBL5908143 0.86 TAS1R3 (0.38) P2RY6NT5EIMPDH2TAS1R3TAS1R1
SCHEMBL5694266 0.84 P2RY12 (0.35) P2RY6IMPDH2TAS1R3TAS1R1KRAS
SCHEMBL5694286 0.82 IMPDH2 (0.36) NT5EIMPDH2TAS1R3TAS1R1KRAS
SCHEMBL5908163 0.79 TERT (0.35) P2RY6P2RY2P2RY4
SCHEMBL5694259 0.78 P2RY6 (0.45) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL5694277 0.78 TAS1R3 (0.36) IMPDH2TAS1R3TAS1R1KRASIMPDH1

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 P2RY6 4021/4885P2RY14 4619/4885NT5E 1192/4885

“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