SCHEMBL6883604

SCHEMBL6883604

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.64
NT5E P21589 1/20 0.64
P2RX3 P56373 5/20 0.61
P2RX2 Q9UBL9 3/20 0.61
P2RY1 P47900 7/20 0.60
P2RX4 Q99571 3/20 0.60
ENPP1 P22413 2/20 0.60
P2RX1 P51575 2/20 0.60
P2RY6 Q15077 1/20 0.60
P2RY11 Q96G91 1/20 0.60
RNASEL Q05823 2/20 0.59
P2RY12 Q9H244 2/20 0.59
P2RY2 P41231 3/20 0.57
SRC P12931 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL19442379 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL14853693 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL20901220 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL14948858 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL14928757 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL625113 0.84 P2RY1 (0.72) GPR17P2RX3P2RX2P2RY1P2RX4
SCHEMBL309060 0.83 P2RY1 (0.71) P2RX3P2RX2P2RY1P2RX4ENPP1
SCHEMBL6882745 0.83 ADORA3 (0.62)
SCHEMBL1533270 0.83 ADORA3 (0.62)
SCHEMBL14178291 0.81 IMPDH2 (0.77) GPR17NT5EP2RX3P2RX2P2RY1

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 GPR17 3824/4885NT5E 2436/4885P2RX3 3919/4885

“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.