SCHEMBL8942566

SCHEMBL8942566

O=C(Nc1cccc(-c2c[nH]c3ncc(Cl)cc23)n1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
GRM5 P41594 3/20 0.49
JAK2 O60674 1/20 0.49
BTK Q06187 4/20 0.48
ITK Q08881 4/20 0.48
CLK4 Q9HAZ1 3/20 0.46
MAP4K4 O95819 2/20 0.46
KDR P35968 2/20 0.46
PRKD3 O94806 1/20 0.46
EGFR P00533 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
AXL P30530 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
FRK P42685 1/20 0.46
CLK2 P49760 1/20 0.46
MAP4K2 Q12851 1/20 0.46
CAMK2B Q13554 1/20 0.46

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
SCHEMBL8941849 0.88 AXL (0.57) GRM5JAK2BTKITKCLK4
SCHEMBL8942207 0.87 BTK (0.50) GRM5JAK2BTKITKCLK4
SCHEMBL8942477 0.85 GRM5 (0.54) GRM5JAK2BTKITKCLK4
SCHEMBL8942516 0.85 SMN1; SMN2 (0.52) GRM5BTKITKCLK4MAP4K4
SCHEMBL8942466 0.85 BTK (0.52) CNR2JAK2BTKITKCLK4
SCHEMBL8940649 0.83 BTK (0.50) JAK2BTKITKCLK4MAP4K4
SCHEMBL12657584 0.82 CNR2 (0.47) CNR2GRM5BTKITKCLK4
SCHEMBL8942341 0.82 BTK (0.49) GRM5JAK2BTKITKCLK4
SCHEMBL8942335 0.82 ROCK1 (0.55) JAK2BTKITKCLK4MAP4K4
SCHEMBL8942561 0.80 BTK (0.47) JAK2BTKITKROCK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 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 (3 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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CNR2 2580/4885GRM5 2623/4885JAK2 2/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 CNR2 2580/4885GRM5 2623/4885JAK2 2/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CNR2 2580/4885GRM5 2623/4885JAK2 2/4885

“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.