SCHEMBL2537071

SCHEMBL2537071

Cc1ncnc2[nH]cc(I)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.61
TRPA1 O75762 2/20 0.46
LRRK2 Q5S007 3/20 0.35
AKT1 P31749 2/20 0.35
BRD4 O60885 1/20 0.35
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
PRKACA P17612 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CDK5 Q00535 2/20 0.33
MAP4K2 Q12851 2/20 0.33
DYRK1A Q13627 2/20 0.33
NTRK3 Q16288 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
HSP90AB1 P08238 1/20 0.33
PAK4 O96013 1/20 0.33

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
SCHEMBL9967152 0.79 AKT1 (0.46) CHEK1TRPA1LRRK2AKT1IRAK4
SCHEMBL22912722 0.79 CHEK1 (0.66) CHEK1TRPA1LRRK2AKT1BRD4
SCHEMBL14649091 0.78 TRPA1 (0.44) CHEK1TRPA1LRRK2AKT1IRAK4
SCHEMBL397485 0.78 CHEK1 (0.63) CHEK1TRPA1LRRK2MAPK1IRAK4
SCHEMBL19743350 0.77 CHEK1 (0.58) CHEK1TRPA1LRRK2MAPK1IRAK4
SCHEMBL61206 0.76 CHEK1 (1.00) CHEK1TRPA1LRRK2AKT1MAPK1
SCHEMBL19306619 0.76 BRAF (0.41) CHEK1TRPA1LRRK2AKT1MAPK1
SCHEMBL21620551 0.76 CHEK1 (0.47) CHEK1TRPA1LRRK2AKT1HSP90AB1
SCHEMBL7887899 0.76 CHEK1 (0.61) CHEK1TRPA1LRRK2MAPK1IRAK4
SCHEMBL2111843 0.76 CHEK1 (0.56) CHEK1TRPA1LRRK2MAPK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 US disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
CN-102947305-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC 2013-02-27 CN disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US disclosed
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 WO disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 US disclosed
WO-2008128072-A2 AXL KINASE INHIBITORS USEFUL FOR THE TREATMENT OF CANCER OR HYPERPROLIFERATIVE DISORDERS SUPERGEN, INC. (US) 2008-10-23 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 (6 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CHEK1 619/4885TRPA1 4132/4885LRRK2 434/4885
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 CHEK1 348/4885TRPA1 4792/4885LRRK2 729/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC CHEK1 591/4885TRPA1 1579/4885LRRK2 285/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CHEK1 129/4885TRPA1 4736/4885LRRK2 437/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 CHEK1 651/4885TRPA1 1706/4885LRRK2 324/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CHEK1 129/4885TRPA1 4736/4885LRRK2 437/4885

“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.