SCHEMBL1593847

SCHEMBL1593847

C[Si](C)(C)CCOCn1ncc2cc(NC(=O)O)cnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
MAPT P10636 1/20 0.34
DGAT1 O75907 5/20 0.33
RPS6KA3 P51812 3/20 0.33
F2RL1 P55085 1/20 0.33
NPC1 O15118 1/20 0.33
F11 P03951 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 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
SCHEMBL1593250 0.86 MAPKAPK2 (0.38) DGAT1
SCHEMBL21818822 0.83 ADORA3 (0.38) MAPTDGAT1F2RL1NPC1ADORA3
SCHEMBL21818904 0.81 ADORA3 (0.39) MAPTDGAT1F2RL1NPC1ADORA3
SCHEMBL19023260 0.80 DGAT1 (0.33) MAPTDGAT1F2RL1NPC1
SCHEMBL29705469 0.80 DGAT1 (0.33) MAPTDGAT1F2RL1NPC1
SCHEMBL30908096 0.80 NPC1 (0.44) MAPTDGAT1NPC1ADORA3ADORA2A
SCHEMBL30908132 0.80 DGAT1 (0.39) DGAT1NPC1ADORA3ADORA2AADORA2B
SCHEMBL1565412 0.78 DGAT1 (0.32) DGAT1F2RL1
SCHEMBL29705489 0.78 NPC1 (0.33) MAPTDGAT1F2RL1NPC1
SCHEMBL27215198 0.78 NPC1 (0.33) MAPTDGAT1F2RL1NPC1

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 NOTUM 4569/4885MAPT 946/4885DGAT1 4252/4885

“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.