SCHEMBL12851809

SCHEMBL12851809

CC[C@]1(COC(=O)c2ccccc2)OC(n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.47
▸ P2RX4 Q99571 2/20 0.47
▸ P2RX2 Q9UBL9 2/20 0.47
▸ STING1 Q86WV6 2/20 0.44
▸ AHCY P23526 3/20 0.44
▸ ENPP1 P22413 1/20 0.43
▸ HSP90B1 P14625 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ P2RX6 O15547 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ P2RX5 Q93086 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42

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
SCHEMBL5558228 0.87 P2RX3 (0.51) P2RX3P2RX4P2RX2STING1AHCY
SCHEMBL12851723 0.86 ALDH1A1 (0.44) P2RX3P2RX4P2RX2P2RY11
SCHEMBL5557886 0.85 P2RX3 (0.48) P2RX3P2RX4P2RX2STING1AHCY
SCHEMBL18573966 0.80 P2RX3 (0.53) P2RX3P2RX4P2RX2STING1AHCY
SCHEMBL16473389 0.80 PRMT6 (0.53) —
SCHEMBL17445611 0.80 PRMT6 (0.53) —
SCHEMBL10191583 0.80 PRMT6 (0.53) —
SCHEMBL5553654 0.77 P2RX3 (0.41) P2RX3P2RX4P2RX2STING1AHCY
SCHEMBL12851609 0.77 PRMT6 (0.48) —
SCHEMBL18073287 0.77 HSP90B1 (0.46) AHCYHSP90B1

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-8278425-B2 N-substituted-aminomethylene bridged bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs IONIS PHARMACEUTICALS, INC. 2010-09-30 — — US 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-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs NSUN2, RNMT, NSUN3 P2RX3 4123/4885P2RX4 4176/4885P2RX2 4226/4885

“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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