SCHEMBL4418042

SCHEMBL4418042

COC(=O)c1c(Br)c(Br)c2c([nH]c3ncc(C)cc32)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NUAK1 O60285 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
EPHB6 O15197 1/20 0.34
RPS6KA4 O75676 1/20 0.34
STK16 O75716 1/20 0.34
STK10 O94804 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34

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
SCHEMBL14292908 0.90 PDK2 (0.36) XDHPDK2PDK4NUAK1ATM
SCHEMBL4415744 0.81 XDH (0.39) XDHPDK2PDK4ATMTSHR
SCHEMBL4417264 0.77 PDK2 (0.38) PDK2PDK4ATM
SCHEMBL4414587 0.76 NUAK1 (0.39) PDK2PDK4NUAK1ATMTSHR
SCHEMBL4414473 0.76 NUAK1 (0.39) PDK2PDK4NUAK1ATMPLK4
SCHEMBL13596971 0.72 PDGFRB (0.40) XDHNUAK1PLK4CHEK1AURKA
SCHEMBL4414077 0.71 PDK2 (0.45) PDK2PDK4ATM
SCHEMBL646603 0.70 AURKA (0.40) PDK2PDK4NUAK1PLK4CHEK1
SCHEMBL10253662 0.68 ATM (0.43) ATM
SCHEMBL2041300 0.67 NR4A2 (0.47) TSHRHTTCHEK1AURKAABL1

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
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 XDH 1/4885PDK2 178/4885PDK4 212/4885

“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.