SCHEMBL19990628

SCHEMBL19990628

COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccccc2)nc1N1CCN(CCN(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.59
AURKA O14965 15/20 0.51
NTRK1 P04629 2/20 0.51
AURKB Q96GD4 14/20 0.50
GSK3B P49841 11/20 0.50
SRC P12931 8/20 0.50
AURKC Q9UQB9 3/20 0.44
PAK4 O96013 1/20 0.44
PTK2 Q05397 1/20 0.44
TBK1 Q9UHD2 1/20 0.44

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
SCHEMBL19990897 0.93 PLK4 (0.60) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL19990495 0.92 PLK4 (0.56) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL18154818 0.90 PLK4 (0.59) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL19998197 0.89 PLK4 (0.54) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL18165931 0.89 PLK4 (0.62) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL18154819 0.89 PLK4 (0.62) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL18154797 0.89 PLK4 (0.56) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL19998193 0.89 PLK4 (0.58) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL18154651 0.89 PLK4 (0.61) PLK4AURKANTRK1AURKBGSK3B
SCHEMBL19990639 0.89 PLK4 (0.61) PLK4AURKANTRK1AURKBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 US disclosed
EP-3283482-B1 PLK4 INHIBITORS LUDWIG INST FOR CANCER RES LTD (CH) 2022-04-06 EP disclosed
US-20200383990-A1 METHODS OF TREATING CANCER WITH PLK4 INHIBITORS LUDWI INSTITUTE FOR CANCER RESEARCH LTD. (CH) 2020-12-10 US disclosed
US-20200383990-A1 METHODS OF TREATING CANCER WITH PLK4 INHIBITORS LUDWI INSTITUTE FOR CANCER RESEARCH LTD. (CH) 2020-12-10 US disclosed
US-10752612-B2 PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2020-08-25 US disclosed
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
US-20180086739-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2018-03-29 US disclosed
US-20180086739-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2018-03-29 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 (4 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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 PLK4 1/4885AURKA 71/4885NTRK1 2556/4885
US-20180086739-A1 PLK4 INHIBITORS PLK4, PLK2, PLK3 PLK4 1/4885AURKA 32/4885NTRK1 2646/4885
US-20200383990-A1 METHODS OF TREATING CANCER WITH PLK4 INHIBITORS PLK4, PLK2, PLK3 PLK4 1/4885AURKA 71/4885NTRK1 2556/4885
US-10752612-B2 PLK4 inhibitors PLK4, PLK2, PLK3 PLK4 1/4885AURKA 32/4885NTRK1 2646/4885

“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.