SCHEMBL21732663

SCHEMBL21732663

Nc1c(-c2ccnc(C3CC3)c2)ccc2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.33
BACE1 P56817 2/20 0.33
NLRP3 Q96P20 4/20 0.33
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21732635 0.91 MAPK1 (0.41) ADORA2AADORA1NOS3NOS1NOS2
SCHEMBL23464705 0.83 NOS3 (0.41) NOS3NOS1NOS2NLRP3GSK3B
SCHEMBL26671269 0.81 PARP10 (0.43) ADORA2AADORA1NOS3NOS1NOS2
SCHEMBL29573616 0.81 ADORA2B (0.45) ADORA2ANOS3NOS1NOS2
SCHEMBL21722660 0.81 ADORA2B (0.45) ADORA2ANOS3NOS1NOS2
SCHEMBL23063304 0.81 NOS3 (0.41) NOS3NOS1NOS2GSK3B
SCHEMBL21732634 0.80 ASIC3 (0.45) ADORA2AADORA1NOS3NOS1NOS2
SCHEMBL21732666 0.80 LOX (0.40) NOS3NOS1NOS2NLRP3KCNH2
SCHEMBL21732623 0.79 NOS3 (0.38) NOS3NOS1NOS2KCNH2
SCHEMBL21732665 0.79 LOX (0.42) NOS3NOS1NOS2NLRP3HDAC8

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-20210163412-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2021-06-03 US disclosed
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 EP disclosed
WO-2020035465-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 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-20210163412-A1 NOVEL SULFONEUREA COMPOUNDS NLRP3, NLRP1, PYCARD ADORA2A 641/4885ADORA1 234/4885NOS3 582/4885

“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.