SCHEMBL3318385

SCHEMBL3318385

CCC(C)OP(=O)(O)C=CC1OC(n2nnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 5/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ DNMT3B Q9UBC3 1/20 0.36
▸ ADORA2A P29274 5/20 0.35
▸ ADORA2B P29275 5/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35

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
SCHEMBL3317216 0.89 P2RY12 (0.35) P2RY12
SCHEMBL13396408 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AP2RY2
SCHEMBL3315696 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AP2RY2
SCHEMBL3315728 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AP2RY2
SCHEMBL3315707 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AP2RY2
SCHEMBL3318377 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AADORA2B
SCHEMBL3318375 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AADORA2B
SCHEMBL13396435 0.86 P2RY12 (0.38) P2RY12DNMT1DNMT3BADORA2AADORA2B
SCHEMBL3317203 0.75 P2RY12 (0.37) P2RY12
SCHEMBL3317205 0.75 P2RY12 (0.37) P2RY12

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 P2RY12 782/4885DNMT1 3091/4885DNMT3B 3200/4885

“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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