SCHEMBL8939602

SCHEMBL8939602

COc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)ncn2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.71
CYP3A4 P08684 10/20 0.71
GSK3B P49841 7/20 0.55
CDK2 P24941 5/20 0.55
IRAK4 Q9NWZ3 5/20 0.55
CDC7 O00311 4/20 0.55
ROCK2 O75116 4/20 0.55
PIM1 P11309 4/20 0.55
PRKACA P17612 4/20 0.55
HIPK2 Q9H2X6 4/20 0.55
CLK4 Q9HAZ1 4/20 0.55
MKNK2 Q9HBH9 3/20 0.55
FLT3 P36888 4/20 0.54
JAK3 P52333 4/20 0.54
JAK2 O60674 3/20 0.54
FGFR1 P11362 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
EGFR P00533 1/20 0.54
INSR P06213 1/20 0.54

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
SCHEMBL8939672 0.86 ROCK1 (0.72) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL12573266 0.84 ROCK1 (0.69) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL8939679 0.83 CYP3A4 (1.00) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL13887815 0.83 ROCK1 (0.74) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL4484666 0.82 ROCK1 (1.00) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL8939674 0.82 ROCK1 (0.66) ROCK1CYP3A4GSK3BCDK2IRAK4
SCHEMBL27821785 0.81 CYP3A4 (0.61) ROCK1CYP3A4CDK2PRKACACLK4
SCHEMBL13887921 0.80 ROCK1 (0.71) ROCK1CYP3A4GSK3BROCK2PRKACA
SCHEMBL4482897 0.80 ROCK1 (0.72) ROCK1CYP3A4GSK3BPRKACAFLT3
SCHEMBL1848095 0.80 CDK9 (0.60) CYP3A4CDK2CLK4FLT3CSF1R

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 24 patents — showing the first 20. 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-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-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
EP-2786995-A1 Azaindoles useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2014-10-08 EP disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
EP-2311837-B1 Azaindoles useful as inhibitors of jak and other protein kinases VERTEX PHARMA (US) 2014-05-21 EP 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-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
EP-2332940-A1 Azaindoles useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2011-06-15 EP disclosed
EP-2311837-A1 Azaindoles useful as inhibitors of jak and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2011-04-20 EP 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
US-20070043063-A1 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 2007-02-22 US disclosed
US-20070043063-A1 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 2007-02-22 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885GSK3B 401/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885GSK3B 401/4885
US-20070043063-A1 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 LCK, PDXK, CHUK ROCK1 313/4885CYP3A4 2437/4885GSK3B 444/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885GSK3B 401/4885

“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.