SCHEMBL12445757

SCHEMBL12445757

COC(=O)Cc1c(F)cnc(N)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 1/20 0.35
SYK P43405 3/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HSP90AB1 P08238 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MET P08581 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
EGFR P00533 2/20 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
SCHEMBL12445754 0.80 GABRA5 (0.40) HSD17B10ALDH1A1KDM4E
SCHEMBL6286616 0.76 GAA (0.45) HTTHSD17B10GAAALDH1A1GFER
SCHEMBL7714693 0.74 GAA (0.44) HTTHSD17B10GAAALDH1A1GFER
SCHEMBL22655985 0.73 SMN1; SMN2 (0.44) HTTHSD17B10GAAALDH1A1GFER
SCHEMBL27215202 0.72 LMNA (0.39) HSD17B10GAAALDH1A1MAPK1KDM4E
SCHEMBL27215094 0.72 ACVRL1 (0.34)
SCHEMBL14997814 0.72 USP7 (0.39)
SCHEMBL23857703 0.71 KDM4E (0.39) GAAALDH1A1MAPK1SYKKDM4E
SCHEMBL10268125 0.71 HSD17B10 (0.41) HTTHSD17B10GAAALDH1A1GFER
SCHEMBL5007047 0.69 MEN1 (0.44) HTTHSD17B10GAAALDH1A1GFER

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 4 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
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
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 HTT 3218/4885HSD17B10 3871/4885GAA 2396/4885

“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.