SCHEMBL8941355

SCHEMBL8941355

CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(NC(=O)[C@@H]5CCCCN5)cc34)n2)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.38
PFKFB2 O60825 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37
SCN9A Q15858 1/20 0.36
GSK3B P49841 4/20 0.35
DYRK1A Q13627 3/20 0.35
AAK1 Q2M2I8 1/20 0.35
WNT1 P04628 1/20 0.35
JAK3 P52333 1/20 0.35
CDK1 P06493 5/20 0.35
FLT3 P36888 5/20 0.35
CDK2 P24941 3/20 0.35
CCNB1 P14635 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
NTRK1 P04629 4/20 0.34
BTK Q06187 4/20 0.34

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
SCHEMBL13193443 1.00 ULK1 (0.38) ULK1PFKFB2PFKFB1PFKFB3SCN9A
SCHEMBL8941339 0.90 ALDH1A1 (0.38) GSK3BDYRK1AAAK1WNT1JAK3
SCHEMBL8941213 0.89 ALDH1A1 (0.39) GSK3BDYRK1AAAK1WNT1CDK1
SCHEMBL8941676 0.88 NTRK1 (0.38) GSK3BDYRK1ACDK1FLT3CDK2
SCHEMBL8940737 0.86 NTRK1 (0.44) GSK3BDYRK1AJAK3CDK1FLT3
SCHEMBL8940562 0.84 BTK (0.41) GSK3BDYRK1ACDK1FLT3CDK2
SCHEMBL8941141 0.84 FLT3 (0.38) GSK3BDYRK1AJAK3CDK1FLT3
SCHEMBL8940785 0.84 BTK (0.39) GSK3BDYRK1AJAK3CDK1FLT3
SCHEMBL8940789 0.84 BTK (0.39) GSK3BDYRK1AJAK3CDK1FLT3
SCHEMBL8941173 0.84 BTK (0.37) GSK3BDYRK1AJAK3CDK1FLT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ULK1 189/4885PFKFB2 2379/4885PFKFB1 2398/4885

“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.