SCHEMBL5694039

SCHEMBL5694039

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](F)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.51
▸ P2RX4 Q99571 2/20 0.51
▸ P2RX2 Q9UBL9 2/20 0.51
▸ ENPP1 P22413 1/20 0.48
▸ STING1 Q86WV6 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ P2RX6 O15547 1/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ P2RX5 Q93086 1/20 0.45
▸ P2RY11 Q96G91 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ GSK3A P49840 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NT5E P21589 2/20 0.43
▸ P2RY12 Q9H244 2/20 0.43

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
SCHEMBL5694235 0.90 NT5E (0.46) P2RX3P2RX4P2RX2P2RX1P2RY11
SCHEMBL5908146 0.86 P2RX3 (0.45) P2RX3P2RX4P2RX2ENPP1ABCB1
SCHEMBL5908145 0.84 ST6GAL1 (0.39) NT5EP2RY12
SCHEMBL20777996 0.83 P2RY12 (0.44) P2RY12
SCHEMBL20908639 0.83 P2RY12 (0.44) P2RY12
SCHEMBL23621360 0.83 P2RY12 (0.44) P2RY12
SCHEMBL30292626 0.83 P2RY12 (0.44) P2RY12
SCHEMBL20908488 0.83 P2RY12 (0.44) P2RY12
SCHEMBL23621322 0.83 P2RY12 (0.44) P2RY12
SCHEMBL26291929 0.83 P2RY12 (0.44) P2RY12

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 P2RX3 4092/4885P2RX4 4376/4885P2RX2 3908/4885

“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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