Sugi Predict

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SCHEMBL3765660

SCHEMBL3765660

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ATR Q13535 1/20 0.35
▸ MT-CO2 P00403 1/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ STK17B O94768 1/20 0.30
▸ STK17A Q9UEE5 1/20 0.30

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
SCHEMBL3776220 0.80 ALDH1A1 (0.38) KMT2ALMNAPAX8GAAMEN1
SCHEMBL21605103 0.79 KMT2A (0.41) KMT2ALMNAATRMT-CO2PAX8
SCHEMBL24857168 0.78 CACNA1G (0.33) KMT2ALMNAATRHSP90AA1HSP90AB1
SCHEMBL30710124 0.78 CACNA1G (0.33) KMT2ALMNAATRHSP90AA1HSP90AB1
SCHEMBL12367233 0.77 STK17B (0.40) KMT2ALMNAATRMT-CO2PDPK1
SCHEMBL31221602 0.76 KMT2A (0.35) KMT2ALMNAPAX8GAAMEN1
SCHEMBL30964649 0.76 SYK (0.34) KMT2ALMNAATRPAX8PDPK1
SCHEMBL3783231 0.76 ALDH1A1 (0.37) KMT2ALMNAPAX8GAAMEN1
SCHEMBL16806443 0.75 ATR (0.41) KMT2ALMNAATRMT-CO2PAX8
SCHEMBL30226544 0.75 ATR (0.41) KMT2ALMNAATRMT-CO2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 — — US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 — — US disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 — — US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 — — US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 — — US disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 — — 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 (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-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC5, HDAC1 KMT2A 111/4885LMNA 2854/4885ATR 449/4885
US-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 KMT2A 481/4885LMNA 2217/4885ATR 397/4885

“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.