SCHEMBL1301193

SCHEMBL1301193

CCOc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ CISD1 Q9NZ45 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL1301188 1.00 METTL3 (0.39) METTL3L3MBTL1MAPK1CISD1PDE4B
SCHEMBL12110612 0.92 PDE4B (0.42) L3MBTL1MAPK1PDE4BTHRBGAA
SCHEMBL1300290 0.92 METTL3 (0.43) METTL3L3MBTL1CISD1KDM4EGAA
SCHEMBL1300294 0.92 METTL3 (0.43) METTL3L3MBTL1CISD1KDM4EGAA
SCHEMBL1301044 0.89 METTL3 (0.37) METTL3KDM4EPIM1CYP2C9NFKB1
SCHEMBL1301047 0.89 METTL3 (0.37) METTL3KDM4EPIM1CYP2C9NFKB1
SCHEMBL1300004 0.88 PDE4B (0.33) METTL3L3MBTL1MAPK1CISD1PDE4B
SCHEMBL1301351 0.84 METTL3 (0.40) METTL3KDM4ERXFP1MEN1KMT2A
SCHEMBL1300666 0.84 METTL3 (0.42) METTL3KDM4ECYP2C9TBXA2RASPH
SCHEMBL1300668 0.84 METTL3 (0.42) METTL3KDM4ECYP2C9TBXA2RASPH

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 2709/4885L3MBTL1 1224/4885MAPK1 3664/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885L3MBTL1 1224/4885MAPK1 3664/4885

“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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