SCHEMBL1494550

SCHEMBL1494550

C[Si](C)(C)CCOCn1cc(-c2ccncn2)nc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.39
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.32
PDE10A Q9Y233 4/20 0.31
GSK3B P49841 1/20 0.31
MAP4K4 O95819 1/20 0.31
EGFR P00533 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1D P48730 1/20 0.31
SLK Q9H2G2 1/20 0.31
KLKB1 P03952 1/20 0.30
RPS6KB1 P23443 2/20 0.30
AKT1 P31749 2/20 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
SCHEMBL6521486 0.78 MAPT (0.34) DGAT1CYP2D6MAPTKLKB1
SCHEMBL1494642 0.78 CYP2D6 (0.34) DGAT1CYP2D6MAPTGSK3B
SCHEMBL12302216 0.71 DGAT1 (0.35) DGAT1KLKB1
SCHEMBL13733342 0.71 DGAT1 (0.41) DGAT1MAPTKLKB1
SCHEMBL28655853 0.70 CYP2D6 (0.36) DGAT1CYP2D6MAPTGSK3BMAP4K4
SCHEMBL30668712 0.68 MAP4K4 (0.39) DGAT1CYP2D6MAPTGSK3BMAP4K4
SCHEMBL20744175 0.68 MAP4K4 (0.39) DGAT1CYP2D6MAPTGSK3BMAP4K4
SCHEMBL29445969 0.67 RPS6KB1 (0.43) CYP2D6GSK3BMAP4K4EGFRFRK
SCHEMBL28151864 0.67 CYP1A2 (0.39) DGAT1MAPT
SCHEMBL24320461 0.67 F2RL1 (0.38) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 (3 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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885CYP2D6 3330/4885MAPT 2340/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885CYP2D6 3330/4885MAPT 2340/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885CYP2D6 3330/4885MAPT 2340/4885

“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.