SCHEMBL1301014

SCHEMBL1301014

COc1nc2c(cc1N[C@@H](C)c1ccc(F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ PDE10A Q9Y233 3/20 0.39
▸ MAPK1 P28482 6/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PDE1C Q14123 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ RIOX2 Q8IUF8 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL1300336 1.00 METTL3 (0.43) METTL3PDE10AMAPK1PIM1PDE1C
SCHEMBL1300331 1.00 METTL3 (0.43) METTL3PDE10AMAPK1PIM1PDE1C
SCHEMBL1301017 1.00 METTL3 (0.43) METTL3PDE10AMAPK1PIM1PDE1C
SCHEMBL1301771 0.88 METTL3 (0.44) METTL3PDE10APIM1MAPTRXFP1
SCHEMBL1301775 0.88 METTL3 (0.44) METTL3PDE10APIM1MAPTRXFP1
SCHEMBL1300294 0.87 METTL3 (0.43) METTL3PDE10APIM1MAPTRXFP1
SCHEMBL1300290 0.87 METTL3 (0.43) METTL3PDE10APIM1MAPTRXFP1
SCHEMBL1300908 0.85 METTL3 (0.42) METTL3PIM1MAPTRXFP1KDM4E
SCHEMBL1300902 0.85 METTL3 (0.42) METTL3PIM1MAPTRXFP1KDM4E
SCHEMBL12108361 0.84 METTL3 (0.46) METTL3PDE10APIM1MAPTRXFP1

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 2011/4885MAPK1 3664/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885MAPK1 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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