SCHEMBL3451008

SCHEMBL3451008

CCN(CC)S(=O)(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
PLK1 P53350 1/20 0.37
IDH2 P48735 1/20 0.35
STK17A Q9UEE5 2/20 0.35
ULK1 O75385 1/20 0.35
STK17B O94768 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
AXL P30530 1/20 0.34
EGFR P00533 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL3451499 0.89 SYK (0.39) PIK3CGSTK17AULK1STK17BPTGS1
SCHEMBL3451409 0.89 IDH2 (0.39) PIK3CDPIK3CGIDH2STK17AULK1
SCHEMBL13312718 0.87 PLK1 (0.37) PIK3CDPIK3CGPLK1IDH2STK17A
SCHEMBL3449320 0.83 MAPK1 (0.42) STK17AULK1STK17BPTGS1PTGS2
SCHEMBL13312720 0.83 PIK3C3 (0.39) IDH2ULK1AXLALDH1A1NPSR1
SCHEMBL3453063 0.82 EGFR (0.35) IDH2STK17AULK1STK17BPTGS1
SCHEMBL3450260 0.82 GAK (0.42) IDH2
SCHEMBL3449183 0.82 JAK1 (0.39) EGFR
SCHEMBL3376106 0.82 ULK1 (0.38) STK17AULK1STK17BPTGS1PTGS2
SCHEMBL3451524 0.81 SYK (0.40)

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PIK3CD 2522/4885PIK3CG 3117/4885PLK1 3507/4885

“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.