SCHEMBL8988167

SCHEMBL8988167

CC(=O)N1[C@H](C)CN(c2cccc(C3CNc4ncc(NC(=O)C5=CCCC5)cc43)n2)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 3/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
RPS6KA3 P51812 2/20 0.31
SORD Q00796 1/20 0.31
WNT3A P56704 1/20 0.30

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
SCHEMBL8990365 0.85 EIF2AK4 (0.36) EIF2AK4RPS6KA3SORDWNT3A
SCHEMBL8990167 0.85 KMT2A (0.36) EIF2AK4
SCHEMBL8988012 0.84 JAK3 (0.38) EIF2AK4WNT3A
SCHEMBL8990162 0.81 TSHR (0.38) EIF2AK4WNT3A
SCHEMBL13933293 0.81 EIF2AK4 (0.39) EIF2AK4SORDWNT3A
SCHEMBL8987971 0.80 EIF2AK4 (0.40) EIF2AK4SORDWNT3A
SCHEMBL8985979 0.79 EIF2AK4 (0.38) EIF2AK4SORD
SCHEMBL12341821 0.79 EIF2AK4 (0.37) EIF2AK4SORD
SCHEMBL8941389 0.78 FLT3 (0.38) RPS6KA3
SCHEMBL8941413 0.78 FLT3 (0.37) SIRT2SIRT1SIRT3RPS6KA3

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-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-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

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 EIF2AK4 462/4885SIRT2 2988/4885SIRT1 3633/4885

“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.