SCHEMBL21700375

SCHEMBL21700375

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(CCc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 20/20 0.89
ALK Q9UM73 20/20 0.89
IGF1R P08069 14/20 0.89
AURKA O14965 3/20 0.89
AURKB Q96GD4 3/20 0.89
PLK4 O00444 1/20 0.89
DAPK3 O43293 1/20 0.89
JAK2 O60674 1/20 0.89
MAP4K4 O95819 1/20 0.89
ABL1 P00519 1/20 0.89
NTRK1 P04629 1/20 0.89
PRKCG P05129 1/20 0.89
LCK P06239 1/20 0.89
FYN P06241 1/20 0.89
CSF1R P07333 1/20 0.89
LYN P07948 1/20 0.89
RET P07949 1/20 0.89
MET P08581 1/20 0.89
ROS1 P08922 1/20 0.89
KIT P10721 1/20 0.89

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
Entrectinib SCHEMBL29394152 0.94 INSR (1.00) INSRALKIGF1RAURKAAURKB
Entrectinib SCHEMBL3512601 0.94 INSR (1.00) INSRALKIGF1RAURKAAURKB
Entrectinib SCHEMBL29358922 0.94 INSR (1.00) INSRALKIGF1RAURKAAURKB
Entrectinib SCHEMBL21802362 0.94 INSR (0.88) INSRALKIGF1RAURKAAURKB
SCHEMBL3511865 0.92 INSR (0.95) INSRALKIGF1RAURKAAURKB
SCHEMBL3514081 0.90 INSR (1.00) INSRALKIGF1RAURKAAURKB
SCHEMBL12467711 0.90 INSR (0.75) INSRALKIGF1RAURKAAURKB
Entrectinib SCHEMBL21802358 0.90 INSR (0.91) INSRALKIGF1RAURKAAURKB
Entrectinib SCHEMBL21802359 0.90 INSR (0.81) INSRALKIGF1RAURKAAURKB
SCHEMBL28455340 0.89 INSR (0.80) INSRALKIGF1RAURKAAURKB

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-10561651-B2 Methods for treating neuroblastoma IGNYTA, INC. (US) 2020-02-18 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-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 INSR 1551/4885ALK 1037/4885IGF1R 299/4885

“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.