SCHEMBL1300924

SCHEMBL1300924

COc1nc2c(cc1NCc1c(F)cccc1F)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ CD38 P28907 3/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ JAK2 O60674 8/20 0.34
▸ JAK1 P23458 8/20 0.34
▸ JAK3 P52333 8/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TOP1 P11387 1/20 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
SCHEMBL1300920 1.00 METTL3 (0.46) METTL3CD38GSK3BPDE10AJAK2
SCHEMBL1301388 0.93 METTL3 (0.43) METTL3CD38GSK3BJAK2JAK1
SCHEMBL1301384 0.93 METTL3 (0.43) METTL3CD38GSK3BJAK2JAK1
SCHEMBL1300337 0.93 METTL3 (0.41) METTL3GSK3BJAK2JAK3KDM4E
SCHEMBL1300334 0.93 METTL3 (0.41) METTL3GSK3BJAK2JAK3KDM4E
SCHEMBL1301713 0.91 METTL3 (0.49) METTL3CD38GSK3BPDE10AKDM4E
SCHEMBL1301707 0.91 METTL3 (0.49) METTL3CD38GSK3BPDE10AKDM4E
SCHEMBL1301276 0.91 METTL3 (0.47) METTL3GSK3BPDE10AKDM4EDPP4
SCHEMBL1301270 0.91 METTL3 (0.47) METTL3GSK3BPDE10AKDM4EDPP4
SCHEMBL3660161 0.91 METTL3 (0.38) METTL3CD38GSK3BPDE10AJAK2

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 6 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 claimed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US claimed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 — — EP claimed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO claimed
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 2709/4885CD38 211/4885GSK3B 524/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885CD38 211/4885GSK3B 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.

Send feedback