SCHEMBL20102202

SCHEMBL20102202

COc1ccc(COc2ccc(-c3cc4c(cc3Cc3cc(F)cc(F)c3)c(NC(=O)c3ccc(N5CCN(C)CC5)cc3N(C(C)=O)C3CCOCC3)nn4C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.41
INSR P06213 16/20 0.41
IGF1R P08069 9/20 0.41
FLT3 P36888 4/20 0.41
KIT P10721 3/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
PLK4 O00444 2/20 0.41
DAPK3 O43293 2/20 0.41
NTRK1 P04629 2/20 0.41
PRKCG P05129 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41
LTK P29376 2/20 0.41
FRK P42685 2/20 0.41
MST1R Q04912 2/20 0.41
PTK2 Q05397 2/20 0.41
TNK2 Q07912 2/20 0.41
NTRK3 Q16288 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41

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
SCHEMBL17848217 0.95 ALK (0.40) ALKINSRIGF1RFLT3KIT
SCHEMBL20102203 0.86 ALK (0.45) ALKINSRIGF1RFLT3KIT
SCHEMBL20102209 0.82 ALK (0.48) ALKINSRIGF1RFLT3KIT
SCHEMBL17848267 0.80 INSR (0.57) ALKINSRIGF1RFLT3KIT
SCHEMBL17848096 0.80 ALK (0.44) ALKINSRIGF1RFLT3KIT
SCHEMBL17848123 0.77 FFAR1 (0.36)
SCHEMBL17848119 0.77 ALK (0.47) ALKINSRIGF1RFLT3KIT
SCHEMBL17848109 0.77 INSR (0.60) ALKINSRIGF1RFLT3KIT
SCHEMBL17848097 0.77 AURKA (0.49) ALKINSRIGF1RFLT3KIT
SCHEMBL20102199 0.77 INSR (0.41) ALKINSRIGF1RFLT3KIT

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 ALK 2551/4885INSR 2001/4885IGF1R 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.