SCHEMBL12108387

SCHEMBL12108387

COc1nc2c(cc1-c1cccc3ccccc13)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ GSK3B P49841 1/20 0.36
▸ MCL1 Q07820 4/20 0.36
▸ BAD Q92934 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ FDPS P14324 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL12108366 0.88 METTL3 (0.59) METTL3GSK3BPPARGCHRM1
SCHEMBL12108396 0.86 METTL3 (0.44) METTL3MCL1DHODHTSHRHIF1A
SCHEMBL12108378 0.85 METTL3 (0.43) METTL3MEN1KMT2ADHODHKDM4E
SCHEMBL12108361 0.84 METTL3 (0.46) METTL3DHODHKDM4EALDH1A1HPGD
SCHEMBL12108370 0.84 METTL3 (0.44) METTL3GSK3BKMT2ADHODHKDM4E
SCHEMBL12108373 0.83 METTL3 (0.42) METTL3
SCHEMBL12108401 0.83 METTL3 (0.42) METTL3KMT2APPARGDHODHALDH1A1
SCHEMBL12108382 0.82 METTL3 (0.41) METTL3MEN1KMT2ADHODHKDM4E
SCHEMBL1300646 0.80 METTL3 (0.44) METTL3GSK3BMEN1KMT2AKDM4E
SCHEMBL13771684 0.80 METTL3 (0.48) METTL3CHRM1

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 5 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
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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 2709/4885GSK3B 524/4885MCL1 1024/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885GSK3B 524/4885MCL1 1024/4885

“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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