SCHEMBL8941007

SCHEMBL8941007

O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2c[nH]c3ncc(Cl)cc23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
MAPK1 P28482 3/20 0.40
MAPK10 P53779 1/20 0.40
CCNT1 O60563 5/20 0.38
ITK Q08881 3/20 0.36
BTK Q06187 2/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
CDK2 P24941 4/20 0.35
CDK9 P50750 4/20 0.35
CCNA2 P20248 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
ROCK1 Q13464 2/20 0.35
CDC7 O00311 1/20 0.35
CHEK1 O14757 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL13918462 1.00 JAK2 (0.44) JAK2MAPK1MAPK10CCNT1ITK
SCHEMBL8941275 1.00 JAK2 (0.44) JAK2MAPK1MAPK10CCNT1ITK
SCHEMBL8941169 0.81 JAK2 (0.46) JAK2MAPK1CCNT1CDK2CDK9
SCHEMBL8941140 0.79 CCNT1 (0.51) JAK2MAPK1CCNT1ITKBTK
SCHEMBL8942494 0.77 PIM3 (0.52) JAK2MAPK1CCNT1ITKRPS6KB1
SCHEMBL8942599 0.76 PIM3 (0.53) JAK2MAPK1CCNT1ITKRPS6KB1
SCHEMBL8942223 0.76 PIM3 (0.53) JAK2MAPK1CCNT1ITKRPS6KB1
SCHEMBL8942639 0.74 JAK2 (0.56) JAK2CCNT1ITKBTKCDK2
SCHEMBL8994914 0.74 AURKA (0.35) MAPK1MAPK10AURKARPS6KB1FLT3
SCHEMBL8942466 0.74 BTK (0.52) JAK2ITKBTKROCK1PRKD3

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 15 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-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
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-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 JAK2 2/4885MAPK1 442/4885MAPK10 449/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK2 2/4885MAPK1 442/4885MAPK10 449/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885MAPK1 442/4885MAPK10 449/4885

“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.