SCHEMBL3409958

SCHEMBL3409958

CC1(C)O[C@@H]2[C@H](O1)[C@@H](/C=C/P(=O)(O)O)O[C@H]2n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 14/20 0.45
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL3410015 1.00 P2RY12 (0.45) P2RY12ADORA2AADORA2B
SCHEMBL13396561 0.89 P2RY12 (0.47) P2RY12
SCHEMBL14113328 0.89 P2RY12 (0.45) P2RY12
SCHEMBL14388134 0.89 P2RY12 (0.45) P2RY12
SCHEMBL14113287 0.86 P2RY12 (0.54) P2RY12ADORA2AADORA2B
SCHEMBL3314380 0.85 P2RY12 (0.53) P2RY12ADORA2AADORA2B
SCHEMBL3314461 0.85 P2RY12 (0.53) P2RY12ADORA2AADORA2B
SCHEMBL3314438 0.85 P2RY12 (0.53) P2RY12ADORA2AADORA2B
SCHEMBL3315013 0.84 RET (0.36) —
SCHEMBL3314965 0.84 RET (0.36) —

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 3 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
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — WO 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 782/4885ADORA2A 545/4885ADORA2B 873/4885

“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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