SCHEMBL1300614

SCHEMBL1300614

COc1nc2c(cc1NCc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.51
▸ CD38 P28907 4/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CMA1 P23946 2/20 0.37
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CB P42338 3/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ ISG15 P05161 1/20 0.33
▸ USP5 P45974 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ USP16 Q9Y5T5 1/20 0.33
▸ USP3 Q9Y6I4 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ PIK3C2B O00750 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
SCHEMBL1300617 1.00 METTL3 (0.51) METTL3CD38CYP3A4CMA1MAPT
SCHEMBL1301301 0.94 METTL3 (0.51) METTL3CD38MAPTRXFP1TP53
SCHEMBL1301294 0.94 METTL3 (0.51) METTL3CD38MAPTRXFP1TP53
SCHEMBL1301791 0.92 METTL3 (0.59) METTL3CD38RXFP1TP53POLB
SCHEMBL1301788 0.92 METTL3 (0.59) METTL3CD38RXFP1TP53POLB
SCHEMBL1301713 0.88 METTL3 (0.49) METTL3CD38HDAC6KDM4EASPH
SCHEMBL1301707 0.88 METTL3 (0.49) METTL3CD38HDAC6KDM4EASPH
SCHEMBL1301276 0.87 METTL3 (0.47) METTL3MAPTMAPK1RXFP1TP53
SCHEMBL1301270 0.87 METTL3 (0.47) METTL3MAPTMAPK1RXFP1TP53
SCHEMBL12108311 0.87 METTL3 (0.58) METTL3CD38CD274PDCD1LG2

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 2709/4885CD38 211/4885CYP3A4 1347/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885CD38 211/4885CYP3A4 1347/4885

“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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