SCHEMBL21645262

SCHEMBL21645262

N#Cc1ccc(Br)c2ccc(=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.49
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
DYRK1A Q13627 1/20 0.37
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCL1 Q07820 1/20 0.31
DPYD Q12882 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
SCHEMBL31575258 1.00 UPP1 (0.49) UPP1CA12CA9DYRK1APDE3B
SCHEMBL21593951 0.79 UPP1 (0.49) UPP1CA12CA9KDM4EALDH1A1
SCHEMBL30903890 0.79 UPP1 (0.49) UPP1CA12CA9KDM4EALDH1A1
SCHEMBL21589311 0.79 UPP1 (0.49) UPP1PDE3BPDE3AKDM4EALDH1A1
SCHEMBL31575217 0.73 CA12 (0.43) CA12CA9PDE3BPDE3A
SCHEMBL12559630 0.73 CA12 (0.43) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL2123782 0.73 DYRK1A (0.43) DYRK1ACHEK1MCL1
SCHEMBL23855213 0.70 CA12 (0.41) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL21645274 0.70 CA12 (0.41) CA12CA9PDE3BPDE3AKDM4E
SCHEMBL1008314 0.70 UPP1 (0.44) UPP1CA12CA9PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098509-A1 PYRROLIDINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-15 WO disclosed
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 UPP1 1467/4885CA12 4718/4885CA9 4280/4885

“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.