SCHEMBL17848233

SCHEMBL17848233

CN1CCN(c2ccc(C(=O)Nc3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4cc(C#Cc5cccc(O)c5)ccc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 8/20 0.37
ALK Q9UM73 8/20 0.37
IGF1R P08069 4/20 0.37
KIT P10721 5/20 0.34
LCK P06239 5/20 0.34
KDR P35968 5/20 0.34
FLT3 P36888 4/20 0.34
ABL1 P00519 2/20 0.34
FYN P06241 2/20 0.34
CSF1R P07333 2/20 0.34
LYN P07948 2/20 0.34
SRC P12931 2/20 0.34
JAK3 P52333 2/20 0.34
AURKA O14965 2/20 0.34
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
PRKCG P05129 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
SCHEMBL20102201 0.93 INSR (0.38) INSRALKIGF1RKITLCK
SCHEMBL17848144 0.88 INSR (0.40) INSRALKIGF1RKITLCK
SCHEMBL20102199 0.81 INSR (0.41) INSRALKIGF1RKITLCK
SCHEMBL591724 0.81 ALK (0.40) INSRALKIGF1RKITLCK
SCHEMBL17848119 0.80 ALK (0.47) INSRALKIGF1RKITLCK
SCHEMBL590635 0.80 ALK (0.39) INSRALKIGF1RKITLCK
SCHEMBL17848096 0.80 ALK (0.44) INSRALKIGF1RKITLCK
SCHEMBL591728 0.77 ALK (0.35) INSRALKIGF1RKITLCK
SCHEMBL17848217 0.76 ALK (0.40) INSRALKIGF1RKITLCK
SCHEMBL1336520 0.75 INSR (0.36) INSRALKIGF1RKITLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases EUDENDRON S.R.L. (IT) 2019-07-02 US disclosed
EP-3233840-B1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S R L (IT) 2018-11-21 EP disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 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 (2 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
US-10336707-B2 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.