SCHEMBL16748841

SCHEMBL16748841

C[C@]1(O)C[C@@H](c2nc(-c3ccc(O)cc3)c3c(N)nccn32)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 19/20 0.74
RIPK2 O43353 1/20 0.66
ROCK2 O75116 1/20 0.66
LATS1 O95835 1/20 0.66
INSR P06213 1/20 0.66
LCK P06239 1/20 0.66
LYN P07948 1/20 0.66
RET P07949 1/20 0.66
IGF1R P08069 1/20 0.66
ABCB1 P08183 1/20 0.66
MET P08581 1/20 0.66
FGFR1 P11362 1/20 0.66
INSRR P14616 1/20 0.66
FECH P22830 1/20 0.66
MAPK3 P27361 1/20 0.66
MARK3 P27448 1/20 0.66
MAPK1 P28482 1/20 0.66
FLT4 P35916 1/20 0.66
KDR P35968 1/20 0.66
MAP2K2 P36507 1/20 0.66

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
SCHEMBL10039871 0.88 TNK2 (0.69) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL16748918 0.86 TNK2 (0.79) TNK2IGF1R
SCHEMBL13618398 0.86 TNK2 (0.89) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4356213 0.86 TNK2 (1.00) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4358974 0.86 TNK2 (1.00) TNK2
SCHEMBL4369079 0.86 TNK2 (1.00) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4369080 0.86 TNK2 (1.00) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4356209 0.86 TNK2 (1.00) TNK2RIPK2ROCK2LATS1INSR
SCHEMBL4358978 0.86 TNK2 (1.00) TNK2
SCHEMBL14948257 0.85 TNK2 (0.66) TNK2RIPK2ROCK2LATS1INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
WO-2015074138-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 WO 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-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC TNK2 43/4885RIPK2 228/4885ROCK2 206/4885

“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.