SCHEMBL1300864

SCHEMBL1300864

COc1nc2c(cc1NCc1ccc(F)c(F)c1)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.39
▸ GSK3B P49841 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ TOP1 P11387 2/20 0.33
▸ P2RX7 Q99572 6/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ RIOX2 Q8IUF8 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ S1PR3 Q99500 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE11A Q9HCR9 1/20 0.32

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
SCHEMBL1300860 1.00 METTL3 (0.42) METTL3PDE10AGSK3BCHRM1NTRK1
SCHEMBL1301654 0.93 METTL3 (0.45) METTL3PDE10AGSK3BCHRM1TOP1
SCHEMBL1301651 0.93 METTL3 (0.45) METTL3PDE10AGSK3BCHRM1TOP1
SCHEMBL1300582 0.93 METTL3 (0.45) METTL3CHRM1P2RX7
SCHEMBL1300580 0.93 METTL3 (0.45) METTL3CHRM1P2RX7
SCHEMBL1300555 0.92 METTL3 (0.43) METTL3PDE10AGSK3BTOP1P2RX7
SCHEMBL1300552 0.92 METTL3 (0.43) METTL3PDE10AGSK3BTOP1P2RX7
SCHEMBL1300294 0.92 METTL3 (0.43) METTL3PDE10AGSK3BKDM4EASPH
SCHEMBL1300290 0.92 METTL3 (0.43) METTL3PDE10AGSK3BKDM4EASPH
SCHEMBL1300784 0.90 METTL3 (0.43) METTL3CHRM1KDM4EASPHRIOX2

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — 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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885GSK3B 524/4885

“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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