SCHEMBL1301348

SCHEMBL1301348

COc1nc2c(cc1NCc1ccc(C)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.37
▸ PDE9A O76083 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ RIOX2 Q8IUF8 1/20 0.36
▸ KDM8 Q8N371 1/20 0.36
▸ PLK1 P53350 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CD38 P28907 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ABCC4 O15439 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
SCHEMBL1301351 1.00 METTL3 (0.40) METTL3PDE10APDE9AKDM4EASPH
SCHEMBL1300646 0.93 METTL3 (0.44) METTL3PDE9AKDM4EASPHRIOX2
SCHEMBL1300641 0.93 METTL3 (0.44) METTL3PDE9AKDM4EASPHRIOX2
SCHEMBL1300294 0.92 METTL3 (0.43) METTL3PDE10APDE9AKDM4EASPH
SCHEMBL1300784 0.92 METTL3 (0.43) METTL3PDE9AKDM4EASPHRIOX2
SCHEMBL1300290 0.92 METTL3 (0.43) METTL3PDE10APDE9AKDM4EASPH
SCHEMBL1300778 0.92 METTL3 (0.43) METTL3PDE9AKDM4EASPHRIOX2
SCHEMBL12110468 0.91 PDE10A (0.37) PDE10APDE9AKDM4ETP53POLB
SCHEMBL1300548 0.90 ASPH (0.41) METTL3PDE9AKDM4EASPHRIOX2
SCHEMBL1300547 0.90 ASPH (0.41) METTL3PDE9AKDM4EASPHRIOX2

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885PDE9A 1229/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885PDE9A 1229/4885

“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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