SCHEMBL13064458

SCHEMBL13064458

C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1c(Br)c(C#N)c2c(N)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSPA8 P11142 2/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CCNA2 P20248 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CCNA1 P78396 3/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ HSPA2 P54652 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
SCHEMBL2786518 1.00 HSPA8 (0.37) HSPA8DYRK1ACCNA2CDK2CCNA1
SCHEMBL4012901 0.93 SRC (0.38) HSPA8DYRK1ACCNA2CDK2CCNA1
SCHEMBL2786030 0.91 HSPA8 (0.38) HSPA8DYRK1ACCNA2CDK2CCNA1
SCHEMBL2786035 0.91 HSPA8 (0.38) HSPA8DYRK1ACCNA2CDK2CCNA1
SCHEMBL13021272 0.88 SRC (0.37) CCNA2CDK2CCNA1EGFRSRC
SCHEMBL12451475 0.86 HSPA8 (0.39) HSPA8DYRK1ACCNA2CDK2CCNA1
SCHEMBL2786054 0.84 ADK (0.42) EGFRSRCKDRP2RX3P2RX4
SCHEMBL13064459 0.84 ADK (0.42) EGFRSRCKDRP2RX3P2RX4
SCHEMBL13005503 0.80 ATG7 (0.40) DYRK1ACDK2CDK5EGFRSRC
SCHEMBL3287276 0.80 ATG7 (0.40) DYRK1ACDK2CDK5EGFRSRC

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 HSPA8 2818/4885DYRK1A 4884/4885CCNA2 1835/4885

“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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