SCHEMBL6524591

SCHEMBL6524591

CC(CNc1nccc(-c2c(Br)nc(C3CC3)n2COCC[Si](C)(C)C)n1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.32
KLKB1 P03952 1/20 0.32
CDK2 P24941 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
SCHEMBL6524581 1.00 DGAT1 (0.32) DGAT1KLKB1CDK2
SCHEMBL1494534 0.86 BRAF (0.37)
SCHEMBL6524588 0.85 DGAT1 (0.33) DGAT1KLKB1
SCHEMBL6521889 0.85 BRAF (0.38) KLKB1CDK2
SCHEMBL6521886 0.85 BRAF (0.38) KLKB1CDK2
SCHEMBL6524462 0.84 BRAF (0.43)
SCHEMBL6524460 0.84 BRAF (0.43)
SCHEMBL1494703 0.84 BRAF (0.36)
SCHEMBL6520486 0.83 BRAF (0.38)
SCHEMBL6526432 0.82 BRAF (0.36) KLKB1CDK2

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-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
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 4099/4885KLKB1 2047/4885CDK2 19/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885KLKB1 2047/4885CDK2 19/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885KLKB1 2047/4885CDK2 19/4885

“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.