SCHEMBL1958367

SCHEMBL1958367

Cc1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.46
BACE1 P56817 2/20 0.37
PDPK1 O15530 1/20 0.35
LCK P06239 2/20 0.34
USP30 Q70CQ3 1/20 0.34
SSTR4 P31391 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
SOS1 Q07889 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
SYK P43405 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
SCHEMBL31268069 1.00 AAK1 (0.46) AAK1BACE1PDPK1LCKUSP30
SCHEMBL25365912 0.93 AAK1 (0.41) AAK1BACE1PDPK1LCKUSP30
SCHEMBL1181939 0.87 AAK1 (0.42) AAK1BACE1LCKUSP30SSTR4
SCHEMBL18359637 0.85 PDPK1 (0.36) AAK1PDPK1LCKUSP30SSTR4
SCHEMBL23757453 0.84 AAK1 (0.39) AAK1BACE1PDPK1LCKUSP30
SCHEMBL10311298 0.83 BACE1 (0.38) AAK1BACE1PDPK1USP30SSTR4
SCHEMBL13199693 0.83 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1NPC1
SCHEMBL29833741 0.83 AAK1 (0.39) AAK1BACE1PDPK1ALDH1A1NPC1
SCHEMBL30463733 0.82 PDPK1 (0.35) AAK1PDPK1USP30MKNK2SYK
SCHEMBL30463735 0.82 PDPK1 (0.35) AAK1PDPK1USP30MKNK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
CN-119137118-A Antagonists of adenosine receptors 阿道尔克斯治疗有限公司 2024-12-13 CN disclosed
EP-4469452-A1 ANTAGONIST OF ADENOSINE RECEPTORS Adorx therapeutics Limited (GB) 2024-12-04 EP disclosed
WO-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO disclosed
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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 (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-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 AAK1 835/4885BACE1 2572/4885PDPK1 2465/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB AAK1 322/4885BACE1 2022/4885PDPK1 21/4885

“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.