SCHEMBL2787304

SCHEMBL2787304

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)C(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 0.41
▸ PRMT5 O14744 1/20 0.41
▸ PRMT3 O60678 1/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ RNMT O43148 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ NAE1 Q13564 1/20 0.35
▸ UBA3 Q8TBC4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ GSK3A P49840 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
SCHEMBL2787306 1.00 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL2786054 0.90 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL13064459 0.90 ADK (0.42) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL2786035 0.84 HSPA8 (0.38) EGFRSRCKDRABCB1LMNA
SCHEMBL2786030 0.84 HSPA8 (0.38) EGFRSRCKDRABCB1LMNA
SCHEMBL4014365 0.83 ADK (0.41) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL12572425 0.83 ABCB1 (0.51) ABCB1LMNAP2RX3P2RX4P2RX2
SCHEMBL12482011 0.83 ABCB1 (0.51) ABCB1LMNAP2RX3P2RX4P2RX2
SCHEMBL2785618 0.83 ADK (0.40) ADKEGFRSRCKDRABCB1
SCHEMBL2785399 0.83 ADK (0.40) ADKEGFRSRCKDRABCB1

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
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — WO disclosed
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — WO disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — US disclosed
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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