SCHEMBL20102199

SCHEMBL20102199

CC(=O)N(c1cc(N2CCN(C)CC2)ccc1C(=O)Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Br)ccc12)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.41
ALK Q9UM73 7/20 0.41
IGF1R P08069 4/20 0.41
KIT P10721 5/20 0.36
FLT3 P36888 4/20 0.36
AURKA O14965 2/20 0.36
LRRK2 Q5S007 2/20 0.36
ABL1 P00519 2/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL17848144 0.93 INSR (0.40) INSRALKIGF1RKITFLT3
SCHEMBL20102201 0.88 INSR (0.38) INSRALKIGF1RKITFLT3
SCHEMBL20110289 0.86 INSR (0.57) INSRALKIGF1RKITFLT3
SCHEMBL20102203 0.86 ALK (0.45) INSRALKIGF1RKITFLT3
SCHEMBL20102209 0.85 ALK (0.48) INSRALKIGF1RKITFLT3
SCHEMBL17848233 0.81 INSR (0.37) INSRALKIGF1RKITFLT3
SCHEMBL17848096 0.80 ALK (0.44) INSRALKIGF1RKITFLT3
SCHEMBL17848119 0.79 ALK (0.47) INSRALKIGF1RKITFLT3
SCHEMBL590635 0.77 ALK (0.39) INSRALKIGF1RKITFLT3
SCHEMBL591724 0.77 ALK (0.40) INSRALKIGF1RKITFLT3

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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES MAP4K2, MAP3K20, MAPKAPK2 INSR 2001/4885ALK 2551/4885IGF1R 890/4885

“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.