SCHEMBL20061673

SCHEMBL20061673

Nc1cc(Br)cnc1NCCN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
SCN9A Q15858 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PGK1 P00558 1/20 0.36
KAT2B Q92831 3/20 0.33
PHF13 Q86YI8 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
IKBKB O14920 1/20 0.31

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
SCHEMBL4528209 0.87 MEN1 (0.40) SIGMAR1KAT2BPHF13L3MBTL3L3MBTL1
SCHEMBL18172301 0.82 PIM1 (0.44) CNR1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL18181295 0.81 IRAK1 (0.40) IRAK1CNR1CNR2ADORA2AADORA1
SCHEMBL18172283 0.75 CYP1A2 (0.48) IRAK1ADORA2AADORA1CYP1A2CYP2C19
SCHEMBL3449359 0.72 CNR1 (0.44) IRAK1CNR1CNR2ADORA2AADORA1
SCHEMBL2323316 0.72 ACHE (0.50) CNR1PGK1KAT2BKMT2ACYP1A2
SCHEMBL7885980 0.70 MAPT (0.45) L3MBTL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL12764762 0.70 MEN1 (0.40) SIGMAR1KAT2BPHF13L3MBTL3L3MBTL1
SCHEMBL2322744 0.70 PIK3CA (0.46) SIGMAR1KAT2BPHF13L3MBTL3L3MBTL1
SCHEMBL21513445 0.70 PIK3CA (0.36) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 IRAK1 720/4885CNR1 140/4885CNR2 251/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 IRAK1 720/4885CNR1 140/4885CNR2 251/4885

“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.