SCHEMBL12107675

SCHEMBL12107675

Cc1cn([C@H](CO)C(C)(C)C)c2nc(OCc3cccnc3)c(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.38
▸ PDCD1 Q15116 10/20 0.36
▸ CD274 Q9NZQ7 10/20 0.36
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CCR4 P51679 1/20 0.33
▸ GPR132 Q9UNW8 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ SQOR Q9Y6N5 1/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL1301528 0.91 METTL3 (0.49) METTL3PDCD1CD274GRIN1GRIN2B
SCHEMBL1301532 0.91 METTL3 (0.49) METTL3PDCD1CD274GRIN1GRIN2B
SCHEMBL12107664 0.88 METTL3 (0.42) METTL3
SCHEMBL12107653 0.88 METTL3 (0.46) METTL3GRM2
SCHEMBL12107671 0.87 METTL3 (0.41) METTL3
SCHEMBL12107665 0.87 METTL3 (0.41) METTL3
SCHEMBL12107672 0.86 METTL3 (0.42) METTL3
SCHEMBL12107714 0.82 METTL3 (0.40) METTL3
SCHEMBL12413342 0.82 METTL3 (0.42) METTL3
SCHEMBL13771406 0.81 METTL3 (0.40) METTL3GRIN1GRIN2B

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 2709/4885PDCD1 4195/4885CD274 4553/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDCD1 4195/4885CD274 4553/4885

“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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