SCHEMBL2330684

SCHEMBL2330684

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(F)c(I)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
PDPK1 O15530 1/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
USP30 Q70CQ3 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 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
SCHEMBL31728824 0.78 SSTR4 (0.31) SSTR4BACE1BACE2USP30GABRA1
SCHEMBL29100813 0.77 SSTR4 (0.44) SSTR4PDPK1BACE1BACE2
SCHEMBL31453253 0.74 PDPK1 (0.34) SSTR4PDPK1BACE1BACE2USP30
SCHEMBL31453148 0.73 SSTR4 (0.41) SSTR4PDPK1BACE1USP30
SCHEMBL31453138 0.73 SSTR4 (0.34) SSTR4PDPK1USP30
SCHEMBL17362697 0.72 PDPK1 (0.39) SSTR4PDPK1USP30
SCHEMBL26984974 0.72 SSTR4 (0.43) SSTR4PDPK1BACE1BACE2USP30
SCHEMBL24196393 0.71 SSTR4 (0.34) SSTR4PDPK1BACE1BACE2USP30
SCHEMBL18013606 0.71 SSTR4 (0.42) SSTR4PDPK1BACE1BACE2USP30
SCHEMBL25385687 0.71 SYK (0.34) SSTR4PDPK1BACE1BACE2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
EP-2531498-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-12-12 EP disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 WO disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 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-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS RAF1, BRAF, ARAF SSTR4 4658/4885PDPK1 160/4885BACE1 3200/4885

“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.