SCHEMBL16186641

SCHEMBL16186641

COc1c(F)cc(F)cc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cccc(N)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
KIT P10721 6/20 0.38
ABL1 P00519 1/20 0.38
FLT3 P36888 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HTR6 P50406 2/20 0.36
DRD2 P14416 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL16193307 0.91 PTPN11 (0.45) PTPN11KITPIM1PIM2HTR6
SCHEMBL16186647 0.89 PTPN11 (0.41) PTPN11BTKITKPIM1PIM2
SCHEMBL16186643 0.89 PTPN11 (0.44) PTPN11BTKITKABL1FLT3
SCHEMBL15805448 0.89 PTPN11 (0.41) PTPN11BTKITKPIM1PIM2
SCHEMBL16186653 0.87 PTPN11 (0.40) PTPN11BTKITKPIM1PIM2
SCHEMBL16186649 0.87 PTPN11 (0.43) PTPN11BTKITKABL1FLT3
SCHEMBL15805205 0.87 PTPN11 (0.40) PTPN11BTKITKPIM1PIM2
SCHEMBL16023225 0.87 PTPN11 (0.40) PTPN11BTKITKPIM1PIM2
SCHEMBL16186668 0.87 PTPN11 (0.41) PTPN11BTKITKPIM1PIM2
SCHEMBL16186645 0.86 PTPN11 (0.41) PTPN11BTKITKPIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTPN11 947/4885BTK 58/4885ITK 2/4885
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 PTPN11 476/4885BTK 101/4885ITK 5/4885

“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.