SCHEMBL13064459

SCHEMBL13064459

C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.42
▸ DOT1L Q8TEK3 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ RNMT O43148 1/20 0.38
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL2786054 1.00 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL4014365 0.93 ADK (0.41) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL2787306 0.90 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL2787304 0.90 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL13021311 0.87 SRC (0.40) ADKPRMT5EGFRSRCKDR
SCHEMBL13021271 0.87 SRC (0.40) ADKPRMT5EGFRSRCKDR
SCHEMBL2788347 0.86 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL18484797 0.84 HRAS (0.38) ALDH1A1HTT
SCHEMBL13064458 0.84 HSPA8 (0.37) EGFRSRCKDRP2RX3P2RX4
SCHEMBL2786518 0.84 HSPA8 (0.37) EGFRSRCKDRP2RX3P2RX4

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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — 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-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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