SCHEMBL3756300

SCHEMBL3756300

CC(=O)Nc1ccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.72
CLK1 P49759 3/20 0.72
DYRK2 Q92630 3/20 0.72
DYRK1B Q9Y463 3/20 0.72
NTRK1 P04629 3/20 0.70
KIT P10721 2/20 0.64
SGK1 O00141 3/20 0.59
AXL P30530 5/20 0.58
IGF1R P08069 2/20 0.57
NEK1 Q96PY6 2/20 0.57
RIPK1 Q13546 1/20 0.57
CLK2 P49760 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
MAPK13 O15264 1/20 0.56
PDPK1 O15530 1/20 0.56
DYRK3 O43781 1/20 0.56

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
SCHEMBL4160145 0.91 NTRK1 (0.77) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL12763363 0.89 DYRK1A (0.80) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL3770116 0.89 CLK1 (0.83) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL3763379 0.85 NTRK1 (0.80) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL17319204 0.85 NTRK1 (0.80) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL4167572 0.84 NTRK1 (0.79) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL4157255 0.83 AXL (0.80) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL3766005 0.83 NTRK1 (0.77) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL17319207 0.83 KIT (0.69) DYRK1ACLK1DYRK2DYRK1BNTRK1
SCHEMBL3760839 0.83 NTRK1 (1.00) DYRK1ACLK1DYRK2DYRK1BNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US claimed
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO claimed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US claimed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP claimed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO claimed
WO-2021006707-A1 USE OF SGK1 INHIBITOR AS THERAPEUTIC AGENT FOR INFLAMMATORY NEUROLOGICAL DISEASES 한양대학교 산학협력단 2021-01-14 WO disclosed
EP-3545956-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-12-16 EP disclosed
EP-3545956-A1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS Arrien Pharmaceuticals LLC (US) 2019-10-02 EP disclosed
US-9834551-B2 Substituted pyrrolo[2,3-b]pyrazines and substituted pyrazolo[3,4-b]pyridines as ITK and JAK kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-12-05 US disclosed
US-9834551-B2 Substituted pyrrolo[2,3-b]pyrazines and substituted pyrazolo[3,4-b]pyridines as ITK and JAK kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-12-05 US disclosed
US-20160046627-A1 ITK and JAK Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-02-18 US disclosed
US-20160046627-A1 ITK and JAK Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-02-18 US disclosed
US-9206188-B2 Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-12-08 US disclosed
US-9206188-B2 Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-12-08 US disclosed
WO-2014172513-A2 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H-PYRROLO [2-,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 WO disclosed
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 US disclosed
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-10-23 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 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-20160046627-A1 ITK and JAK Kinase Inhibitors JAK3, ITK, JAK2 DYRK1A 738/4885CLK1 106/4885DYRK2 600/4885
US-20140315909-A1 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors JAK3, TYK2, JAK2 DYRK1A 344/4885CLK1 36/4885DYRK2 205/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 DYRK1A 378/4885CLK1 254/4885DYRK2 348/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 DYRK1A 360/4885CLK1 262/4885DYRK2 317/4885

“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.