SCHEMBL3449796

SCHEMBL3449796

O=S1(=O)CCN(CCCNc2nc(Cl)ncc2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
IRAK1 P51617 2/20 0.37
STK17B O94768 2/20 0.37
STK17A Q9UEE5 2/20 0.37
TBK1 Q9UHD2 1/20 0.35
PGK1 P00558 2/20 0.35
FGFR1 P11362 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KDR P35968 1/20 0.34
SRC P12931 2/20 0.33
TP53 P04637 1/20 0.33
EGFR P00533 1/20 0.33
FGFR2 P21802 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
SCHEMBL3449359 0.93 CNR1 (0.44) CNR1CNR2IRAK1STK17BSTK17A
SCHEMBL13649046 0.86 PGK1 (0.47) PGK1FGFR1TLR7KDRSRC
SCHEMBL3447060 0.83 MAPK1 (0.47) KMT2ATP53TYRO3MERTKGAS6
SCHEMBL3448511 0.78 STK17A (0.55) STK17BSTK17ATBK1
SCHEMBL1917199 0.75 ALDH1A1 (0.50) PGK1IRAK4MEN1KMT2A
SCHEMBL3448525 0.75 CXCR4 (0.50) MEN1KMT2A
SCHEMBL29398703 0.74 ALDH1A1 (0.47) PGK1IRAK4MEN1KMT2ATYRO3
SCHEMBL22634686 0.74 ALDH1A1 (0.47) PGK1IRAK4MEN1KMT2ATYRO3
SCHEMBL22648321 0.73 IRAK4 (0.41) IRAK1STK17BSTK17ATBK1PGK1
SCHEMBL3715848 0.72 STK17A (0.61) STK17BSTK17AMEN1KMT2A

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 CNR1 653/4885CNR2 517/4885IRAK1 2185/4885

“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.