SCHEMBL12110682

SCHEMBL12110682

COc1ccc(-c2cc3c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c3nc2OC)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.42
▸ MTOR P42345 4/20 0.42
▸ METTL3 Q86U44 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ AKT1 P31749 1/20 0.36

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
SCHEMBL12108382 0.91 METTL3 (0.41) PIK3CAMTORMETTL3PRKAG1PRKAA1
SCHEMBL12108361 0.88 METTL3 (0.46) PIK3CAMETTL3PRKAG1PRKAA1PRKAB1
SCHEMBL12108378 0.87 METTL3 (0.43) METTL3PRKAG1PRKAA1PRKAB1
SCHEMBL12108363 0.84 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1
SCHEMBL13771684 0.84 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1
SCHEMBL12108368 0.84 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1
SCHEMBL12108370 0.82 METTL3 (0.44) METTL3PRKAG1PRKAA1PRKAB1
SCHEMBL12108387 0.82 METTL3 (0.46) METTL3
SCHEMBL12108373 0.81 METTL3 (0.42) METTL3
SCHEMBL12108401 0.81 METTL3 (0.42) METTL3

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 PIK3CA 66/4885MTOR 3132/4885METTL3 2709/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PIK3CA 66/4885MTOR 3132/4885METTL3 2709/4885

“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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