SCHEMBL14429061

SCHEMBL14429061

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.55
▸ BCHE P06276 1/20 0.53
▸ HTR1A P08908 1/20 0.50
▸ TYMP P19971 1/20 0.49
▸ SLC29A1 Q99808 2/20 0.44
▸ ADORA3 P0DMS8 3/20 0.43
▸ HSPA5 P11021 1/20 0.42
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CDC25B P30305 1/20 0.40

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
SCHEMBL14429057 0.89 PDE2A (0.59) PDE2ABCHEHTR1AADORA3HSPA5
SCHEMBL14429059 0.89 TYMP (0.57) PDE2ABCHEHTR1ATYMPSLC29A1
SCHEMBL14429165 0.88 PDE2A (0.55) PDE2ABCHEHTR1ATYMPSLC29A1
SCHEMBL14429060 0.87 P2RX3 (0.52) PDE2ABCHEHTR1ATYMPSLC29A1
SCHEMBL25353749 0.82 HTR1A (0.47) PDE2ABCHEHTR1ASLC29A1HSPA5
SCHEMBL5961364 0.82 PDE2A (0.64) PDE2ABCHEHTR1ASLC29A1ADORA3
SCHEMBL11427985 0.82 PDE2A (0.64) PDE2ABCHEHTR1ASLC29A1ADORA3
SCHEMBL14429231 0.82 PDE2A (0.49) PDE2ABCHEHTR1ATYMPSLC29A1
SCHEMBL14429255 0.82 PDE2A (0.49) PDE2ABCHEHTR1ATYMPSLC29A1
SCHEMBL14429069 0.82 PDE2A (0.49) PDE2ABCHEHTR1ATYMPSLC29A1

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 3198/4885BCHE 3255/4885HTR1A 3963/4885

“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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