SCHEMBL8990167

SCHEMBL8990167

CC(=O)N1[C@H](C)CN(c2cccc(C3CNc4ncc(NC(=O)C5CCCC5)cc43)n2)C[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM1 Q13255 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN2 P17706 1/20 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
SCHEMBL8990365 0.88 EIF2AK4 (0.36) EIF2AK4
SCHEMBL8988012 0.87 JAK3 (0.38) EIF2AK4
SCHEMBL8988167 0.85 EIF2AK4 (0.34) EIF2AK4
SCHEMBL8990162 0.83 TSHR (0.38) EIF2AK4TSHR
SCHEMBL13933293 0.83 EIF2AK4 (0.39) EIF2AK4
SCHEMBL8987971 0.82 EIF2AK4 (0.40) EIF2AK4
SCHEMBL8985979 0.81 EIF2AK4 (0.38) EIF2AK4
SCHEMBL12341821 0.79 EIF2AK4 (0.37) EIF2AK4
SCHEMBL8987864 0.79 EIF2AK4 (0.38) KMT2AEIF2AK4
SCHEMBL8941339 0.77 ALDH1A1 (0.38) KMT2AALDH1A1KDM4EHPGDNPC1

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 2 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-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 KMT2A 684/4885ALDH1A1 3704/4885KDM4E 702/4885

“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.