SCHEMBL2719983

SCHEMBL2719983

CC(C)(C)[S+]([O-])/N=C/c1ccc2cccnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.34
LMNA P02545 5/20 0.33
TDP1 Q9NUW8 5/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NFKB1 P19838 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 3/20 0.32
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL2719987 1.00 MET (0.34) METLMNATDP1MAPTSMN1; SMN2
SCHEMBL11997066 0.79 LMNA (0.37) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4684389 0.77 KDM4E (0.42) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4684391 0.77 KDM4E (0.42) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4684386 0.77 KDM4E (0.42) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4684388 0.77 KDM4E (0.42) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4684384 0.77 KDM4E (0.42) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL2721112 0.75 ERN1 (0.43) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL11973478 0.74 PDE10A (0.41) LMNATDP1MAPTSMN1; SMN2NFKB1
SCHEMBL4086659 0.72 PIK3CD (0.34) LMNATDP1MAPTSMN1; SMN2NFKB1

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
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 MET 1800/4885LMNA 2393/4885TDP1 2752/4885

“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.