SCHEMBL8992634

SCHEMBL8992634

c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.72
CDK2 P24941 10/20 0.72
ROCK2 O75116 8/20 0.72
PIM1 P11309 8/20 0.72
PRKACA P17612 8/20 0.72
GSK3B P49841 8/20 0.72
HIPK2 Q9H2X6 8/20 0.72
IRAK4 Q9NWZ3 6/20 0.72
DYRK1A Q13627 6/20 0.72
FLT3 P36888 4/20 0.72
JAK3 P52333 4/20 0.72
CDK9 P50750 4/20 0.72
MKNK2 Q9HBH9 3/20 0.72
DAPK3 O43293 3/20 0.72
PRKD3 O94806 3/20 0.72
PAK4 O96013 3/20 0.72
CSNK1A1 P48729 3/20 0.72
CLK2 P49760 3/20 0.72
CDK7 P50613 3/20 0.72
PRKX P51817 3/20 0.72

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
SCHEMBL1044049 0.84 ROCK2 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1083529 0.84 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL8939619 0.82 CLK4 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1045577 0.81 CDC7 (1.00) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1666229 0.81 CDC7 (0.63) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL1050119 0.80 CDC7 (0.70) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL31006592 0.78 DYRK1A (1.00) GSK3BDYRK1ACDK9MAPK1CLK4
SCHEMBL29283884 0.78 DYRK1A (1.00) GSK3BDYRK1ACDK9MAPK1CLK4
SCHEMBL8940185 0.77 CLK4 (0.84) CDC7CDK2ROCK2PIM1PRKACA
SCHEMBL29775980 0.77 CDC7 (0.59) CDC7CDK2ROCK2PIM1PRKACA

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 6 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-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-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-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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDC7 274/4885CDK2 23/4885ROCK2 241/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 CDC7 274/4885CDK2 23/4885ROCK2 241/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDC7 274/4885CDK2 23/4885ROCK2 241/4885
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 CDC7 864/4885CDK2 154/4885ROCK2 469/4885

“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.