SCHEMBL16186643

SCHEMBL16186643

COc1c(F)cc(F)cc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(F)c(N)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PIK3CA P42336 2/20 0.36
BTK Q06187 2/20 0.35
ITK Q08881 2/20 0.35
SIK1 P57059 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34
HTR6 P50406 2/20 0.34
DRD2 P14416 1/20 0.34
EED O75530 1/20 0.33
PI4KA P42356 2/20 0.33
MTOR P42345 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
FYN P06241 1/20 0.33
PIK3CG P48736 1/20 0.33
ABL1 P00519 1/20 0.33
FLT3 P36888 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
SCHEMBL16186649 0.93 PTPN11 (0.43) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL16186645 0.90 PTPN11 (0.41) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL16186641 0.89 PTPN11 (0.42) PTPN11PIM1PIM2BTKITK
SCHEMBL16186668 0.89 PTPN11 (0.41) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL16186647 0.88 PTPN11 (0.41) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL16186665 0.85 PTPN11 (0.41) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL15805188 0.85 PTPN11 (0.43) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL15805448 0.85 PTPN11 (0.41) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL16186653 0.85 PTPN11 (0.40) PTPN11PIM1PIM2PIK3CABTK
SCHEMBL15805191 0.83 PTPN11 (0.39) PTPN11PIM1PIM2HTR6DRD2

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 947/4885PIM1 700/4885PIM2 626/4885
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 476/4885PIM1 793/4885PIM2 516/4885

“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.