SCHEMBL6380431

SCHEMBL6380431

COC(=O)c1nccn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ GAPDH P04406 2/20 0.52
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ HRAS P01112 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37

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
SCHEMBL7211429 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7215444 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL13065349 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7211433 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7215448 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL6381295 1.00 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL6382549 0.90 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL13066041 0.90 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7214846 0.90 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL13065350 0.84 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1295890-B1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof TOYAMA CHEMICAL CO LTD (JP) 2005-04-27 — — EP disclosed
EP-1256588-B1 NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH TOYAMA CHEMICAL CO LTD (JP) 2005-02-02 — — EP disclosed
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue TOYAMA CHEMICAL CO., LTD. (JP) 2004-11-25 — — US disclosed
US-6800629-B2 VIRICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2004-10-05 — — US disclosed
US-20030130213-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof TOYAMA CHEMICAL CO., LTD. (JP) 2003-07-10 — — 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-20030130213-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof GTF3C5, EIF2AK2, GTF3C2 MEN1 3809/4885USP2 2967/4885POLB 2369/4885
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue CDK5, NT5C3B, CDK15 MEN1 2916/4885USP2 3527/4885POLB 437/4885

“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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