SCHEMBL18166013

SCHEMBL18166013

COc1c(Cl)nc(Sc2ccc(NC(C)=O)cc2)nc1Nc1cc(C)[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.66
AURKA O14965 15/20 0.66
GSK3B P49841 8/20 0.66
SRC P12931 7/20 0.66
AURKC Q9UQB9 3/20 0.66
PLK4 O00444 1/20 0.58

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
SCHEMBL18154710 0.87 AURKB (0.66) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154673 0.85 AURKB (0.63) AURKBAURKAGSK3BSRCAURKC
SCHEMBL19990669 0.84 AURKB (0.62) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154755 0.84 PLK4 (0.73) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154838 0.84 AURKB (0.62) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154812 0.84 PLK4 (0.72) AURKBAURKAGSK3BSRCAURKC
SCHEMBL19990501 0.84 PLK4 (0.72) AURKBAURKAGSK3BSRCAURKC
SCHEMBL19990895 0.83 PLK4 (0.83) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154766 0.83 PLK4 (0.71) AURKBAURKAGSK3BSRCAURKC
SCHEMBL19990444 0.83 AURKB (0.58) AURKBAURKAGSK3BSRCAURKC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752612-B2 PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2020-08-25 US disclosed
US-20180086739-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2018-03-29 US disclosed
WO-2016166604-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2016-10-20 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-20180086739-A1 PLK4 INHIBITORS PLK4, PLK2, PLK3 AURKB 23/4885AURKA 32/4885GSK3B 73/4885
US-10752612-B2 PLK4 inhibitors PLK4, PLK2, PLK3 AURKB 23/4885AURKA 32/4885GSK3B 73/4885

“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.