SCHEMBL22734210

SCHEMBL22734210

Cc1cc(Nc2nc(Sc3ccc(N(C)C(=O)O)cc3)nc(N3CCCCC3)c2C)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.57
GSK3B P49841 8/20 0.57
SRC P12931 7/20 0.57
AURKA O14965 14/20 0.50
PLK4 O00444 2/20 0.49
AURKC Q9UQB9 3/20 0.46
RIPK1 Q13546 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL19990409 0.89 AURKB (0.49) AURKBGSK3BSRCAURKAPLK4
SCHEMBL19990549 0.87 AURKB (0.61) AURKBGSK3BSRCAURKAPLK4
SCHEMBL29487458 0.86 AURKA (0.61) AURKBGSK3BSRCAURKAPLK4
SCHEMBL18165846 0.86 AURKA (0.61) AURKBGSK3BSRCAURKAPLK4
SCHEMBL29487474 0.86 AURKA (0.51) AURKBGSK3BSRCAURKAPLK4
SCHEMBL18165868 0.86 AURKA (0.51) AURKBGSK3BSRCAURKAPLK4
SCHEMBL19990520 0.85 AURKA (0.50) AURKBGSK3BSRCAURKAPLK4
SCHEMBL19990508 0.84 AURKB (0.63) AURKBGSK3BSRCAURKAPLK4
SCHEMBL18154682 0.84 AURKB (0.63) AURKBGSK3BSRCAURKAPLK4
SCHEMBL29487447 0.84 PLK4 (0.61) AURKBGSK3BSRCAURKAPLK4

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 2 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
US-20200383990-A1 METHODS OF TREATING CANCER WITH PLK4 INHIBITORS LUDWI INSTITUTE FOR CANCER RESEARCH LTD. (CH) 2020-12-10 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 (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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 AURKB 28/4885GSK3B 154/4885SRC 1488/4885
US-20200383990-A1 METHODS OF TREATING CANCER WITH PLK4 INHIBITORS PLK4, PLK2, PLK3 AURKB 28/4885GSK3B 154/4885SRC 1488/4885

“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.