SCHEMBL21645274

SCHEMBL21645274

O=c1ccc2c(Br)ccc(C(Br)Br)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
ADRB2 P07550 15/20 0.35
ADRB1 P08588 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 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
SCHEMBL31575217 0.74 CA12 (0.43) CA12CA9PDE3BPDE3ADRD2
SCHEMBL12559630 0.74 CA12 (0.43) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL23855213 0.71 CA12 (0.41) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL31575258 0.70 UPP1 (0.49) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL21645262 0.70 UPP1 (0.49) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL18980742 0.70 KDM4E (0.41) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL2171202 0.70 NQO2 (0.47) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL29722062 0.70 KDM4E (0.41) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL21645330 0.67 CA12 (0.37) CA12CA9PDE3BPDE3ADRD2
SCHEMBL21645331 0.67 CA12 (0.37) CA12CA9PDE3BPDE3ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
CN-112513024-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2021-03-16 CN disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4718/4885CA9 4280/4885PDE3B 1589/4885

“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.