SCHEMBL4412754

SCHEMBL4412754

CCS(=O)(=O)c1cccc(-c2cc(C(=O)OC)c(C)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.68
AURKB Q96GD4 2/20 0.68
PLK4 O00444 1/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
EPHB6 O15197 1/20 0.68
RPS6KA4 O75676 1/20 0.68
STK16 O75716 1/20 0.68
STK10 O94804 1/20 0.68
ABL1 P00519 1/20 0.68
EGFR P00533 1/20 0.68
NTRK1 P04629 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68
YES1 P07947 1/20 0.68
LYN P07948 1/20 0.68
RET P07949 1/20 0.68
HCK P08631 1/20 0.68
PDGFRB P09619 1/20 0.68
BCR P11274 1/20 0.68

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
SCHEMBL644215 0.93 AURKB (0.62) BTKAURKBPLK4CHEK1AURKA
SCHEMBL13594948 0.92 AURKB (0.61) BTKAURKBPLK4CHEK1AURKA
SCHEMBL647050 0.92 PLK4 (0.61) BTKAURKBPLK4CHEK1AURKA
SCHEMBL645848 0.91 BTK (0.70) BTKAURKBPLK4CHEK1AURKA
SCHEMBL14547460 0.90 BTK (0.69) BTKAURKBPLK4CHEK1AURKA
SCHEMBL2612677 0.88 BTK (0.67) BTKAURKBPLK4CHEK1AURKA
SCHEMBL644606 0.88 PLK4 (0.69) BTKAURKBPLK4CHEK1AURKA
SCHEMBL646253 0.88 FYN (0.71) BTKAURKBPLK4CHEK1AURKA
SCHEMBL13255659 0.87 BTK (0.65) BTKAURKBPLK4CHEK1AURKA
SCHEMBL646306 0.86 PLK4 (0.71) BTKAURKBPLK4CHEK1AURKA

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
EP-2133349-B1 Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2011-01-12 EP 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 BTK 1231/4885AURKB 2321/4885PLK4 2038/4885

“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.