SCHEMBL12108311

SCHEMBL12108311

COc1nc2c(cc1CNc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.58
▸ EGFR P00533 15/20 0.37
▸ CD38 P28907 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.33
▸ CD274 Q9NZQ7 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
SCHEMBL1301791 0.92 METTL3 (0.59) METTL3EGFRCD38CSF1RGSK3B
SCHEMBL1301788 0.92 METTL3 (0.59) METTL3EGFRCD38CSF1RGSK3B
SCHEMBL1300242 0.88 METTL3 (0.72) METTL3EGFR
SCHEMBL1300623 0.88 METTL3 (0.72) METTL3EGFR
SCHEMBL12107926 0.88 METTL3 (0.72) METTL3EGFR
SCHEMBL1301499 0.88 METTL3 (0.56) METTL3EGFRCSF1R
SCHEMBL1301495 0.88 METTL3 (0.56) METTL3EGFRCSF1R
SCHEMBL1300617 0.87 METTL3 (0.51) METTL3CD38PDCD1LG2CD274
SCHEMBL1300614 0.87 METTL3 (0.51) METTL3CD38PDCD1LG2CD274
SCHEMBL1301301 0.87 METTL3 (0.51) METTL3CD38CD274

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 2709/4885EGFR 4552/4885CD38 211/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885EGFR 4552/4885CD38 211/4885

“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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