SCHEMBL3407035

SCHEMBL3407035

O=S(=O)(NC1CC1)c1cc(Br)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP4 P27487 6/20 0.42
KCNH2 Q12809 4/20 0.42
DPP7 Q9UHL4 4/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL3023482 0.93 KMT2A (0.49) KMT2ATDP1MAPTTP53LMNA
SCHEMBL3404360 0.93 ALOX5AP (0.43) KMT2ATDP1MAPTTP53LMNA
SCHEMBL31429912 0.79 MAPT (0.57) KMT2ATDP1MAPTTP53LMNA
SCHEMBL2372648 0.79 KMT2A (0.51) KMT2ATDP1MAPTTP53LMNA
SCHEMBL3530828 0.76 KMT2A (0.45) KMT2ATDP1MAPTTP53LMNA
SCHEMBL3409057 0.76 CNR2 (0.46) CNR1CNR2ALOX5APFEN1
SCHEMBL5355687 0.76 HSD17B1 (0.41) KMT2ATDP1MAPTTP53LMNA
SCHEMBL5355689 0.76 HSD17B1 (0.41) KMT2ATDP1MAPTTP53LMNA
SCHEMBL24496063 0.75 KMT2A (0.73) KMT2ATDP1MAPTTP53LMNA
SCHEMBL3018396 0.75 KMT2A (0.73) KMT2ATDP1MAPTTP53LMNA

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-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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 (2 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 KMT2A 1428/4885TDP1 4268/4885MAPT 872/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 KMT2A 1428/4885TDP1 4268/4885MAPT 872/4885

“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.