SCHEMBL17865339

SCHEMBL17865339

COc1cnc(C#Cc2ccnc(NC(C)=O)c2)c(NC(=O)CF)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
GAA P10253 1/20 0.38
PIK3C3 Q8NEB9 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK10 P53779 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TGFBR1 P36897 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
RIOK2 Q9BVS4 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ACACB O00763 1/20 0.36
GSK3A P49840 1/20 0.36
RGS12 O14924 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL17840843 0.86 KDR (0.39) METPIK3C3TGFBR1ADORA3NR3C2
SCHEMBL17865341 0.83 GSK3A (0.39) GAAPIK3C3L3MBTL1TGFBR1ACACB
SCHEMBL17840730 0.81 MET (0.42) METPIK3C3TGFBR1ADORA3AAK1
SCHEMBL17863795 0.76 PIK3C3 (0.49) PIK3C3L3MBTL1TGFBR1
SCHEMBL17840896 0.73 AAK1 (0.43) METPIK3C3L3MBTL1ACACBAAK1
SCHEMBL17840786 0.72 PIK3C3 (0.38) PIK3C3L3MBTL1TGFBR1
SCHEMBL17840596 0.72 PIK3C3 (0.41) PIK3C3L3MBTL1TGFBR1
SCHEMBL17840748 0.71 PTK2 (0.40) PIK3C3L3MBTL1TGFBR1
SCHEMBL17840555 0.71 PIK3C3 (0.38) PIK3C3SMN1; SMN2L3MBTL1
SCHEMBL19133730 0.71 ACACB (0.43) PIK3C3ALDH1A1L3MBTL1TGFBR1ADORA3

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 MET 218/4885GAA 3046/4885PIK3C3 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.