SCHEMBL1301771

SCHEMBL1301771

COc1nc2c(cc1Nc1ccc(F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ MET P08581 2/20 0.37
▸ AXL P30530 2/20 0.37
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ HIPK2 Q9H2X6 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
SCHEMBL1301775 1.00 METTL3 (0.44) METTL3METAXLMAPTRXFP1
SCHEMBL1301310 0.89 METTL3 (0.46) METTL3MAPTKDM4ECDK2CDK5
SCHEMBL1301400 0.89 METTL3 (0.46) METTL3MAPTKDM4EGSK3BCDK2
SCHEMBL1301395 0.89 METTL3 (0.46) METTL3MAPTKDM4EGSK3BCDK2
SCHEMBL1301309 0.89 METTL3 (0.46) METTL3MAPTKDM4ECDK2CDK5
SCHEMBL1301014 0.88 METTL3 (0.43) METTL3MAPTRXFP1KDM4EPIM1
SCHEMBL1300290 0.88 METTL3 (0.43) METTL3MAPTRXFP1KDM4EPIM1
SCHEMBL1300331 0.88 METTL3 (0.43) METTL3MAPTRXFP1KDM4EPIM1
SCHEMBL1300294 0.88 METTL3 (0.43) METTL3MAPTRXFP1KDM4EPIM1
SCHEMBL1301017 0.88 METTL3 (0.43) METTL3MAPTRXFP1KDM4EPIM1

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 2709/4885MET 4763/4885AXL 3597/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885MET 4763/4885AXL 3597/4885

“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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