SCHEMBL14429057

SCHEMBL14429057

CO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.59
▸ HSPA5 P11021 1/20 0.52
▸ AHCY P23526 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADORA1 P30542 2/20 0.49
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ P2RY12 Q9H244 2/20 0.47
▸ NT5E P21589 1/20 0.47
▸ DOT1L Q8TEK3 3/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ GAA P10253 1/20 0.44

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
SCHEMBL11427985 0.94 PDE2A (0.64) PDE2AHSPA5AHCYHTR1AADORA1
SCHEMBL5961364 0.94 PDE2A (0.64) PDE2AHSPA5AHCYHTR1AADORA1
SCHEMBL14429024 0.89 PDE2A (0.71) PDE2AHSPA5AHCYHTR1AADORA1
SCHEMBL14429061 0.89 PDE2A (0.55) PDE2AHSPA5HTR1AADORA1BCHE
SCHEMBL14429257 0.89 PDE2A (0.59) PDE2AHSPA5AHCYADORA1P2RY12
SCHEMBL14428965 0.89 PDE2A (0.59) PDE2AHSPA5AHCYADORA1P2RY12
SCHEMBL7906337 0.88 HSPA5 (0.62) PDE2AHSPA5AHCYADORA1NT5E
SCHEMBL23922272 0.83 P2RY12 (0.56) AHCYADORA1P2RX3P2RX4P2RX2
SCHEMBL22393145 0.83 P2RY12 (0.56) AHCYADORA1P2RX3P2RX4P2RX2
SCHEMBL24205260 0.83 P2RY12 (0.56) AHCYADORA1P2RX3P2RX4P2RX2

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-20070185063-A1 Seven-membered ring nucleosides IDENIX PHARMACEUTICALS, INC. 2007-08-09 — — 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-20070185063-A1 Seven-membered ring nucleosides NSUN2, NSUN3, HAVCR2 PDE2A 3198/4885HSPA5 1464/4885AHCY 531/4885

“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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