SCHEMBL4414587

SCHEMBL4414587

COC(=O)c1cc(N)c2c([nH]c3ncc(C)cc32)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.39
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
EPHB6 O15197 1/20 0.37
RPS6KA4 O75676 1/20 0.37
STK16 O75716 1/20 0.37
STK10 O94804 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 1/20 0.37
BCR P11274 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL4414473 0.85 NUAK1 (0.39) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL13596971 0.81 PDGFRB (0.40) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL4414077 0.79 PDK2 (0.45) AXLMAPTNR4A2PIM3PDK2
SCHEMBL645138 0.77 ATM (0.41) RETAXLKDM4EMAPTALDH1A1
SCHEMBL4418042 0.76 XDH (0.35) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL4412754 0.74 BTK (0.68) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL2612693 0.73 PDK2 (0.37) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL14292908 0.73 PDK2 (0.36) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL646603 0.72 AURKA (0.40) NUAK1PLK4CHEK1AURKAEPHB6
SCHEMBL645506 0.70 PDK2 (0.36) MAP3K11KDM4EMAPTPDK2PDK4

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 NUAK1 1717/4885PLK4 2038/4885CHEK1 1208/4885

“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.