SCHEMBL30353149

SCHEMBL30353149

COc1nc(Nc2cc(C)[nH]n2)cc(N2CCNCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.60
EGFR P00533 7/20 0.56
RIPK1 Q13546 1/20 0.53
AURKB Q96GD4 3/20 0.52
PIK3C3 Q8NEB9 2/20 0.52
TBK1 Q9UHD2 1/20 0.52
PLK4 O00444 1/20 0.48
PAK4 O96013 1/20 0.48
NTRK1 P04629 1/20 0.47

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
SCHEMBL30353197 0.89 EGFR (0.57) AURKAEGFRRIPK1AURKBPIK3C3
SCHEMBL12430891 0.88 EGFR (0.70) AURKAEGFRAURKBPIK3C3TBK1
SCHEMBL18154790 0.87 PIK3C3 (0.65) AURKAEGFRRIPK1AURKBPIK3C3
SCHEMBL18154662 0.85 EGFR (0.53) AURKAEGFRAURKBPIK3C3TBK1
Hydrochloric Acid SCHEMBL28463160 0.81 AURKA (0.55) AURKARIPK1AURKBTBK1PLK4
SCHEMBL28610702 0.78 AURKA (0.52) AURKARIPK1AURKBTBK1PLK4
SCHEMBL15704984 0.77 EGFR (0.50) AURKAEGFRRIPK1AURKBPIK3C3
SCHEMBL15705010 0.77 EGFR (0.50) AURKAEGFRRIPK1AURKBPIK3C3
SCHEMBL15705035 0.77 EGFR (0.48) AURKAEGFRRIPK1AURKBPIK3C3
SCHEMBL22534378 0.75 PLK4 (0.61) AURKARIPK1AURKBPLK4PAK4

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-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 AURKA 71/4885EGFR 2234/4885RIPK1 612/4885

“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.