SCHEMBL1541478

SCHEMBL1541478

CC(=O)OCc1cc2c(cnn2C(C)=O)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
CSNK1A1 P48729 1/20 0.45
GSK3A P49840 1/20 0.45
LIMK1 P53667 1/20 0.45
IKBKE Q14164 1/20 0.45
MAPK14 Q16539 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
ELANE P08246 1/20 0.31
HPGD P15428 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL836744 0.76 CHEK1 (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7139110 0.76 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7139226 0.76 CHEK1 (0.57) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL30073737 0.72 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4143895 0.71 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1760365 0.70 ELANE (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29241416 0.70 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3928400 0.69 DYRK1B (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4787452 0.68 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1141640 0.68 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A

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-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN CHEK1 3764/4885AURKA 2358/4885DAPK3 4852/4885

“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.