SCHEMBL8940742

SCHEMBL8940742

CC(=O)N1[C@H](C)CN(c2ccc(C#N)c(-c3c[nH]c4ncc(Cl)cc34)n2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
FLT3 P36888 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
PIK3CD O00329 1/20 0.38
JAK2 O60674 1/20 0.36
EIF2AK4 Q9P2K8 3/20 0.35
JUN P05412 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TNIK Q9UKE5 2/20 0.34
JAK3 P52333 1/20 0.33

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
SCHEMBL8940534 0.87 JAK2 (0.38) JAK2EIF2AK4JAK3
SCHEMBL8940535 0.86 JAK2 (0.34) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL8940628 0.85 PIK3CD (0.38) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL15705222 0.85 JAK2 (0.36) JAK2EIF2AK4JAK3
SCHEMBL8940656 0.84 JAK2 (0.36) JAK2EIF2AK4JAK3
SCHEMBL8940638 0.83 PIK3CD (0.37) PIK3CD
SCHEMBL8940882 0.83 JAK3 (0.36) JAK2TNIKJAK3
SCHEMBL8940767 0.82 JAK2 (0.34) JAK2EIF2AK4JAK3
SCHEMBL8940227 0.81 JAK2 (0.42) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL8940608 0.77 JAK2 (0.34) JAK2JAK3

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 12 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-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

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 CDK1 45/4885CCNB1 1180/4885FLT3 310/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 CDK1 45/4885CCNB1 1180/4885FLT3 310/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDK1 45/4885CCNB1 1180/4885FLT3 310/4885

“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.