SCHEMBL1593250

SCHEMBL1593250

CC(C)(C)OC(=O)Nc1cnc2c(cnn2COCC[Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.38
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
AR P10275 1/20 0.36
SREBF2 Q12772 1/20 0.35
CYP17A1 P05093 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
DGAT1 O75907 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC4 P56524 1/20 0.34
RORC P51449 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL1593847 0.86 NOTUM (0.36) DGAT1
SCHEMBL25321588 0.78 CYP17A1 (0.33) MAPKAPK2GSK3BDYRK1ACYP17A1HDAC1
SCHEMBL29705515 0.78 P2RX3 (0.34) CYP17A1DGAT1
SCHEMBL27215128 0.78 P2RX3 (0.34) CYP17A1DGAT1
SCHEMBL29195515 0.77 MALT1 (0.43) MAPKAPK2GSK3BDYRK1AARHDAC1
SCHEMBL21818904 0.77 ADORA3 (0.39) DGAT1
SCHEMBL21818822 0.77 ADORA3 (0.38) DGAT1
SCHEMBL943944 0.76 CYP17A1 (0.33) MAPKAPK2GSK3BDYRK1ACYP17A1HDAC1
SCHEMBL29705469 0.76 DGAT1 (0.33) DGAT1
SCHEMBL19023260 0.76 DGAT1 (0.33) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (1 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF MAPKAPK2 45/4885GSK3B 151/4885DYRK1A 626/4885

“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.