SCHEMBL16176331

SCHEMBL16176331

C/C(=C\Br)C(=O)NC(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16176333 1.00 POLB (0.33) POLBNPC1RAB9AATM
SCHEMBL16188979 0.85 POLB (0.33) POLBNPC1RAB9AATM
SCHEMBL10773328 0.79 POLB (0.39) POLBNPC1RAB9AATM
SCHEMBL17523413 0.79 NPC1 (0.31) POLBNPC1RAB9AATM
SCHEMBL21428120 0.78 ATM (0.37) POLBNPC1RAB9AATM
SCHEMBL7611640 0.74 TGFBR1 (0.39) POLBNPC1RAB9AATM
SCHEMBL2857868 0.72
SCHEMBL6036407 0.71 POLB (0.35) POLBNPC1RAB9AATM
SCHEMBL4696449 0.71 POLB (0.35) POLBNPC1RAB9AATM
SCHEMBL21916061 0.71 POLB (0.30) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
EP-2986300-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) 2019-06-26 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-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-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
US-9206188-B2 Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-12-08 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

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-20160046627-A1 ITK and JAK Kinase Inhibitors JAK3, ITK, JAK2 POLB 1243/4885NPC1 3400/4885RAB9A 2038/4885
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 POLB 1281/4885NPC1 4029/4885RAB9A 2945/4885

“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.