SCHEMBL3407598

SCHEMBL3407598

COc1cccc(NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PIK3CD O00329 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
BACE1 P56817 1/20 0.42
PRKDC P78527 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL30936849 0.90 RXFP1 (0.40) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL38661077 0.86 PKM (0.46) KMT2AALDH1A1LMNAKDM4EMAPT
SCHEMBL729221 0.84 KMT2A (0.59) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL29991357 0.84 KMT2A (0.59) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL27297 0.84 P2RX7 (0.48) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL27847969 0.84 LMNA (0.44) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL1097144 0.84 BRD4 (0.49) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL1779793 0.82 PDK1 (0.46) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL14337634 0.82 KMT2A (0.43) KMT2AL3MBTL1RXFP1PDK1PDK2
SCHEMBL29493510 0.82 LCK (0.45) RXFP1LMNAMETAP1POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 WO disclosed
US-7816330-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2010-01-07 US disclosed
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2009-04-23 US disclosed
US-7511020-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides Tanabe Pharma Corporation (JP) 2006-10-19 US disclosed
US-7094764-B2 Substituted benzimidazole-, Benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-22 US disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 US disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 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 (4 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-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, B3GAT3 KMT2A 2002/4885L3MBTL1 1401/4885RXFP1 3273/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC KMT2A 1851/4885L3MBTL1 1422/4885RXFP1 3375/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC KMT2A 1851/4885L3MBTL1 1422/4885RXFP1 3375/4885
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, B3GAT3 KMT2A 1884/4885L3MBTL1 1395/4885RXFP1 3263/4885

“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.