SCHEMBL1301707

SCHEMBL1301707

COc1nc2c(cc1NCc1cccc(F)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.37
▸ GSK3B P49841 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ AURKA O14965 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ CD38 P28907 2/20 0.32
▸ GPR6 P46095 1/20 0.31
▸ STAT6 P42226 1/20 0.31
▸ DPP4 P27487 2/20 0.31

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
SCHEMBL1301713 1.00 METTL3 (0.49) METTL3PDE10AGSK3BKMT2AAURKA
SCHEMBL1301270 0.94 METTL3 (0.47) METTL3PDE10AGSK3BKMT2AHDAC6
SCHEMBL1301276 0.94 METTL3 (0.47) METTL3PDE10AGSK3BKMT2AHDAC6
SCHEMBL1301826 0.93 METTL3 (0.45) METTL3GSK3BP2RX7GPR6
SCHEMBL1301823 0.93 METTL3 (0.45) METTL3GSK3BP2RX7GPR6
SCHEMBL1301788 0.92 METTL3 (0.59) METTL3GSK3BCD38
SCHEMBL1301791 0.92 METTL3 (0.59) METTL3GSK3BCD38
SCHEMBL1300924 0.91 METTL3 (0.46) METTL3PDE10AGSK3BKMT2AKDM4E
SCHEMBL1300920 0.91 METTL3 (0.46) METTL3PDE10AGSK3BKMT2AKDM4E
SCHEMBL1301311 0.90 METTL3 (0.45) METTL3PDE10AGSK3BSTAT6

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 3 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-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 2011/4885GSK3B 524/4885
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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