SCHEMBL845962

SCHEMBL845962

N#Cc1nc(Br)cnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
KHK P50053 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
SCHEMBL30605022 1.00 CSNK1A1 (0.37) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL27409647 0.80 HTT (0.36) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL31307776 0.78 HTT (0.39) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL1697862 0.78 HTT (0.39) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL29380304 0.78 ALDH1A1 (0.38) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL1338461 0.78 ALDH1A1 (0.38) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL618039 0.77 HTT (0.47) CSNK1A1CLK4KDM4ENPSR1HTT
SCHEMBL23508934 0.75 HTT (0.33) HTT
SCHEMBL12466516 0.75 ALDH1A1 (0.36) CSNK1A1CLK4ALDH1A1KDM4EPOLB
SCHEMBL15691420 0.75 HTT (0.33) CLK4KDM4EHTT

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
WO-2024256568-A1 SALT AND CRYSTAL FORMS OF A MACROCYCLIC BTK INHIBITOR CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO disclosed
WO-2024256574-A1 PROCESS FOR PREPARING MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO disclosed
WO-2024246287-A1 MEDICAL USE OF A MACROCYCLIC REVERSIBLE BTK INHIBITOR CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-05 WO disclosed
WO-2024245578-A1 THERAPEUTIC COMBINATIONS OF AN IRREVERSIBLE BTK INHIBITOR AND A MACROCYCLIC REVERSIBLE BTK INHIBITOR NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V. (NL) 2024-12-05 WO disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 CN disclosed
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-09-05 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
EP-2485731-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2012-08-15 EP disclosed
CN-102458581-A N- (hetero) aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo [2,3-d ] pyrimidines and pyrrol-3-yl-pyrrolo [2,3-d ] pyrimidines as JANUS kinase inhibitors INCYTE CORP 2012-05-16 CN disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 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 (4 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 CSNK1A1 893/4885CLK4 1166/4885ALDH1A1 2362/4885
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CSNK1A1 577/4885CLK4 1839/4885ALDH1A1 2342/4885
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 CSNK1A1 893/4885CLK4 1166/4885ALDH1A1 2362/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK CSNK1A1 176/4885CLK4 860/4885ALDH1A1 4774/4885

“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.