SCHEMBL6880958

SCHEMBL6880958

CC(C)COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.65
▸ P2RX3 P56373 3/20 0.65
▸ ENPP1 P22413 2/20 0.65
▸ P2RX1 P51575 2/20 0.65
▸ P2RX4 Q99571 2/20 0.65
▸ P2RY11 Q96G91 2/20 0.65
▸ P2RY6 Q15077 1/20 0.65
▸ P2RY12 Q9H244 2/20 0.64
▸ RNASEL Q05823 4/20 0.62
▸ P2RY2 P41231 2/20 0.59
▸ P2RX2 Q9UBL9 2/20 0.59
▸ SRC P12931 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MACROD2 A1Z1Q3 1/20 0.58
▸ SIRT6 Q8N6T7 1/20 0.58
▸ MACROD1 Q9BQ69 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ GPR17 Q13304 2/20 0.58
▸ NT5E P21589 1/20 0.58

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
SCHEMBL31029199 0.91 P2RY1 (0.68) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL1763062 0.90 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL14948878 0.90 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL29471281 0.90 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL1527226 0.90 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL625828 0.86 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL13857854 0.86 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL3502237 0.86 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL29471291 0.86 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL18269547 0.86 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040241706-A1 Highly specific modulators of GTPases for target validation IRM, LLC 2004-12-02 — — 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-20040241706-A1 Highly specific modulators of GTPases for target validation CDC42, ARHGDIB, ARHGEF2 P2RY1 3762/4885P2RX3 3919/4885ENPP1 435/4885

“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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