SCHEMBL10266528

SCHEMBL10266528

C[C@H]1C[C@@H](CO)O[C@H]1n1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.62
▸ DOT1L Q8TEK3 3/20 0.50
▸ PRMT5 O14744 2/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ EHMT2 Q96KQ7 1/20 0.47
▸ PAX8 Q06710 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ METTL3 Q86U44 1/20 0.41

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
SCHEMBL1738494 0.88 ADK (0.61) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL6732487 0.88 ADK (0.61) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL13952394 0.88 ADK (0.47) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL20058772 0.86 ADK (0.61) ADKDOT1LPRMT5PAX8NPC1
SCHEMBL10268710 0.86 ADK (0.61) ADKDOT1LPRMT5PAX8NPC1
SCHEMBL13952395 0.86 HIF1A (0.51) ADKDOT1LPRMT5PAX8HIF1A
SCHEMBL14305600 0.84 ADK (0.60) ADKMETTL3
SCHEMBL12151806 0.84 ADK (0.47) ADKDOT1LPRMT5PAX8NPC1
SCHEMBL20059237 0.84 ADK (0.47) ADKDOT1LPRMT5PAX8NPC1
SCHEMBL14313964 0.84 ADK (0.47) ADKDOT1LPRMT5PAX8NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2012-06-28 — — US disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — US disclosed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 — — US disclosed
US-7202224-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2007-04-10 — — 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 (2 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-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADK 239/4885DOT1L 1622/4885PRMT5 436/4885
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION HAVCR2, EIF2AK2, OAT ADK 2308/4885DOT1L 2500/4885PRMT5 2493/4885

“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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