SCHEMBL8939680

SCHEMBL8939680

O=C(Cc1ccc(F)cc1F)Nc1nccc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.59
CYP3A4 P08684 1/20 0.59
RET P07949 11/20 0.53
CCNB2 O95067 10/20 0.53
CDK1 P06493 10/20 0.53
CCNB1 P14635 10/20 0.53
CCNB3 Q8WWL7 10/20 0.53
CDK2 P24941 5/20 0.52
CDC7 O00311 3/20 0.52
MAP4K4 O95819 3/20 0.52
PRKACA P17612 3/20 0.52
GSK3B P49841 3/20 0.52
HIPK2 Q9H2X6 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
IRAK4 Q9NWZ3 3/20 0.52
PIM1 P11309 2/20 0.52
CCNT1 O60563 3/20 0.48
CCNA2 P20248 3/20 0.48
CDK9 P50750 3/20 0.48
PDPK1 O15530 2/20 0.48

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
SCHEMBL8939623 0.89 CCNB2 (0.61) ROCK1CYP3A4RETCCNB2CDK1
SCHEMBL8939641 0.86 ROCK1 (0.65) ROCK1CYP3A4RETCCNB2CDK1
SCHEMBL13887722 0.83 ROCK1 (0.69) ROCK1CYP3A4CDK2GSK3BIRAK4
SCHEMBL8939681 0.83 ROCK1 (0.59) ROCK1CYP3A4RETCDK2CDC7
SCHEMBL13887816 0.80 ROCK1 (0.48) ROCK1CYP3A4CDK1CCNB1CDK2
SCHEMBL13887744 0.79 ROCK1 (0.59) ROCK1CYP3A4CDK2CDC7MAP4K4
SCHEMBL13239588 0.76 CDK1 (0.64) ROCK1CYP3A4RETCCNB2CDK1
SCHEMBL8939719 0.75 CCNT1 (0.69) ROCK1CYP3A4RETCCNB2CDK1
SCHEMBL8939656 0.74 CYP3A4 (1.00) ROCK1CYP3A4RETCCNB2CDK1
SCHEMBL13239597 0.73 RET (0.76) RETCCNB2CDK1CCNB1CCNB3

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 18 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
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
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
EP-2332940-B1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMA (US) 2012-10-31 EP 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
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 (5 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 ROCK1 333/4885CYP3A4 3152/4885RET 472/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885RET 472/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885RET 472/4885
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 2437/4885RET 1280/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 ROCK1 333/4885CYP3A4 3152/4885RET 472/4885

“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.