SCHEMBL6863798

SCHEMBL6863798

NC(=O)c1nccn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.43
▸ NT5E P21589 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 10/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ PTPN2 P17706 3/20 0.36
▸ PTPN6 P29350 3/20 0.36
▸ PTPN11 Q06124 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ BCHE P06276 1/20 0.35

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
SCHEMBL6863805 1.00 PDE2A (0.43) PDE2ANT5EMEN1USP2POLB
SCHEMBL6863803 1.00 PDE2A (0.43) PDE2ANT5EMEN1USP2POLB
SCHEMBL6377190 0.90 MEN1 (0.48) MEN1USP2POLBKMT2APTPN1
SCHEMBL7214846 0.82 MEN1 (0.55) MEN1USP2POLBKMT2APTPN1
SCHEMBL13066041 0.82 MEN1 (0.55) MEN1USP2POLBKMT2APTPN1
SCHEMBL6382549 0.82 MEN1 (0.55) MEN1USP2POLBKMT2APTPN1
SCHEMBL15941707 0.75 PDE2A (0.52) PDE2ANT5EPTPN1HTR1APTPN2
SCHEMBL15941709 0.75 PDE2A (0.52) PDE2ANT5EPTPN1HTR1APTPN2
SCHEMBL6385429 0.75 ALDH1A1 (0.40) NT5EMEN1USP2POLBKMT2A
SCHEMBL22983971 0.73 KMT2A (0.45) PDE2ANT5EMEN1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030130213-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof GTF3C5, EIF2AK2, GTF3C2 PDE2A 880/4885NT5E 2006/4885MEN1 3809/4885

“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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