SCHEMBL17865341

SCHEMBL17865341

CC(=O)Nc1cc(C#Cc2ncccc2NC(=O)CF)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIK3C3 Q8NEB9 5/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 2/20 0.36
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
ACACB O00763 1/20 0.35
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
BRD4 O60885 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
SCHEMBL30365566 0.85 L3MBTL1 (0.40) GSK3AGSK3BPIK3C3JAK2JAK1
SCHEMBL17840796 0.85 L3MBTL1 (0.40) GSK3AGSK3BPIK3C3JAK2JAK1
SCHEMBL17865339 0.83 MET (0.38) GSK3APIK3C3TGFBR1L3MBTL1GAA
SCHEMBL17840742 0.80 JAK2 (0.41) PIK3C3JAK2JAK1TYK2L3MBTL1
SCHEMBL25227856 0.75 GSK3A (0.39) GSK3AGSK3B
SCHEMBL17840536 0.74 PIK3C3 (0.44) PIK3C3JAK2JAK1TYK2L3MBTL1
SCHEMBL17871068 0.74 PIK3C3 (0.38) PIK3C3JAK2JAK1TYK2L3MBTL1
SCHEMBL17863758 0.74 PIK3C3 (0.46) GSK3BPIK3C3JAK2JAK1TYK2
SCHEMBL17863795 0.74 PIK3C3 (0.49) PIK3C3TGFBR1L3MBTL1
SCHEMBL17840637 0.74 L3MBTL1 (0.39) PIK3C3JAK2JAK1TYK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 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-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 GSK3A 52/4885GSK3B 33/4885PIK3C3 2608/4885

“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.