SCHEMBL1301716

SCHEMBL1301716

COc1nc2c(cc1NCc1cccc(C(F)(F)F)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ MITF O75030 1/20 0.41
▸ RPS6KB1 P23443 4/20 0.40
▸ AURKA O14965 3/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ AURKB Q96GD4 1/20 0.38
▸ RIPK1 Q13546 2/20 0.38
▸ NTRK1 P04629 3/20 0.37
▸ SCD O00767 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 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
SCHEMBL1301717 1.00 METTL3 (0.43) METTL3MITFRPS6KB1AURKARXFP1
SCHEMBL1300548 0.92 ASPH (0.41) METTL3RPS6KB1AURKAAURKB
SCHEMBL1300547 0.92 ASPH (0.41) METTL3RPS6KB1AURKAAURKB
SCHEMBL1301072 0.90 METTL3 (0.46) METTL3RPS6KB1AURKAAURKBNTRK1
SCHEMBL1301076 0.90 METTL3 (0.46) METTL3RPS6KB1AURKAAURKBNTRK1
SCHEMBL1300646 0.90 METTL3 (0.44) METTL3RXFP1
SCHEMBL1301424 0.88 METTL3 (0.46) METTL3RPS6KB1RXFP1
SCHEMBL1301419 0.88 METTL3 (0.46) METTL3RPS6KB1RXFP1
SCHEMBL1300860 0.86 METTL3 (0.42) METTL3RPS6KB1AURKANTRK1
SCHEMBL1300864 0.86 METTL3 (0.42) METTL3RPS6KB1AURKANTRK1

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 2709/4885MITF 4516/4885RPS6KB1 1419/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885MITF 4516/4885RPS6KB1 1419/4885

“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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