SCHEMBL10238969

SCHEMBL10238969

COc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL13030115 0.91 ACHE (0.51) ACHEALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10238971 0.91 ACHE (0.39) ACHEPDE4APDE4DPDE3ATAS1R3
SCHEMBL15898757 0.91 ACHE (0.39) ACHEPDE4APDE4DPDE3ATAS1R3
SCHEMBL10238977 0.86 ACHE (0.36) ACHETAS1R3TAS1R1SLC29A1
SCHEMBL15763462 0.84 ACHE (0.46) ACHEALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15763413 0.83 ACHE (0.38) ACHEPDE4APDE4DPDE3ATAS1R3
SCHEMBL15898744 0.81 ACHE (0.34) ACHEALDH1A1TAS1R3TAS1R1
SCHEMBL10238972 0.81 ACHE (0.34) ACHEALDH1A1TAS1R3TAS1R1
SCHEMBL15898784 0.81 ACHE (0.34) ACHEALDH1A1
SCHEMBL13030114 0.81 ACHE (0.48) ACHEPDE4APDE4DPDE3ALMNA

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-9394331-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2016-07-19 — — US disclosed
US-8841275-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20120142626-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 — — 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-20120142626-A1 COMPOUNDS HAVCR2, EIF2AK2, NTPCR ACHE 3340/4885ALDH1A1 249/4885MEN1 3988/4885

“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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