SCHEMBL8939859

SCHEMBL8939859

NC(=O)c1ccc(-c2c[nH]c3ncccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 1.00
IKBKB O14920 1/20 0.64
CHUK O15111 1/20 0.64
CDC7 O00311 5/20 0.60
GSK3B P49841 4/20 0.60
MKNK2 Q9HBH9 3/20 0.60
ROCK2 O75116 3/20 0.60
PIM1 P11309 3/20 0.60
CDK2 P24941 3/20 0.60
NEK2 P51955 2/20 0.60
PLK4 O00444 2/20 0.60
CHEK1 O14757 2/20 0.60
MAPK13 O15264 2/20 0.60
PDPK1 O15530 2/20 0.60
DYRK3 O43781 2/20 0.60
PRKD3 O94806 2/20 0.60
ABL1 P00519 2/20 0.60
CDK1 P06493 2/20 0.60
ROS1 P08922 2/20 0.60
PHKG2 P15735 2/20 0.60

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
SCHEMBL8939866 0.86 CAMKK2 (0.76) CAMKK2CDC7GSK3BROCK2PIM1
SCHEMBL27828924 0.82 CAMKK2 (0.70) CAMKK2IKBKBCHUKCDC7GSK3B
SCHEMBL3762873 0.81 MAP3K11 (0.73) CAMKK2CDC7GSK3BMKNK2ROCK2
SCHEMBL31064980 0.80 CDC7 (0.70) CAMKK2CDC7GSK3BROCK2PIM1
SCHEMBL12675738 0.80 NEK2 (0.73) CAMKK2IKBKBCHUKCDC7GSK3B
SCHEMBL22044122 0.80 CAMKK2 (0.72) CAMKK2CDC7GSK3BMKNK2ROCK2
SCHEMBL857588 0.79 CAMKK2 (0.67) CAMKK2CDC7CDK2NEK2MELK
SCHEMBL858529 0.79 CAMKK2 (0.67) CAMKK2CDC7GSK3BROCK2PIM1
SCHEMBL858985 0.79 CAMKK2 (0.70) CAMKK2IKBKBCHUKCDC7GSK3B
SCHEMBL4791333 0.78 IKBKB (1.00) CAMKK2IKBKBCHUKCDC7GSK3B

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 CAMKK2 435/4885IKBKB 513/4885CHUK 190/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CAMKK2 435/4885IKBKB 513/4885CHUK 190/4885
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 CAMKK2 171/4885IKBKB 22/4885CHUK 3/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CAMKK2 435/4885IKBKB 513/4885CHUK 190/4885

“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.