SCHEMBL1302306

SCHEMBL1302306

COc1nc2c(cc1NCCc1ccccc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ GSK3B P49841 3/20 0.39
▸ CDK2 P24941 2/20 0.35
▸ TOP1 P11387 3/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DPP4 P27487 2/20 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
SCHEMBL1302316 1.00 METTL3 (0.46) METTL3GSK3BCDK2TOP1ADORA1
SCHEMBL1301276 0.92 METTL3 (0.47) METTL3GSK3BTP53MAPTSMN1; SMN2
SCHEMBL1301270 0.92 METTL3 (0.47) METTL3GSK3BTP53MAPTSMN1; SMN2
SCHEMBL1301713 0.88 METTL3 (0.49) METTL3GSK3BKMT2AHDAC6KDM4E
SCHEMBL1301707 0.88 METTL3 (0.49) METTL3GSK3BKMT2AHDAC6KDM4E
SCHEMBL1300902 0.87 METTL3 (0.42) METTL3GSK3BTOP1MAPTSMN1; SMN2
SCHEMBL1300908 0.87 METTL3 (0.42) METTL3GSK3BTOP1MAPTSMN1; SMN2
SCHEMBL1300924 0.86 METTL3 (0.46) METTL3GSK3BTOP1KMT2AKDM4E
SCHEMBL1300920 0.86 METTL3 (0.46) METTL3GSK3BTOP1KMT2AKDM4E
SCHEMBL1301560 0.85 METTL3 (0.45) METTL3GSK3BKDM4EALDH1A1DPP4

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 2709/4885GSK3B 524/4885CDK2 103/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885GSK3B 524/4885CDK2 103/4885

“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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