SCHEMBL1542059

SCHEMBL1542059

CC(=O)n1ncc2cc(Br)c(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
CSNK1A1 P48729 1/20 0.53
GSK3A P49840 1/20 0.53
LIMK1 P53667 1/20 0.53
MAPK14 Q16539 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KMT2A Q03164 2/20 0.39
CREBBP Q92793 1/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.35
CASP1 P29466 1/20 0.34
PDGFRA P16234 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
SCHEMBL21796872 0.94 IKBKE (0.53) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL15639676 0.87 CHEK1 (0.39) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL1982431 0.83 CHEK1 (0.55) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL30073737 0.83 CHEK1 (0.51) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL836744 0.81 CHEK1 (0.53) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL1981816 0.80 ROCK2 (0.41) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL21796520 0.79 CHEK1 (0.54) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL5407783 0.77 CHEK1 (0.49) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL31626463 0.77 CHEK1 (0.46) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL31185750 0.76 IKBKE (0.44) IKBKECHEK1AURKADAPK3CSNK1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
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 (2 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 IKBKE 1295/4885CHEK1 3764/4885AURKA 2358/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 IKBKE 1711/4885CHEK1 2125/4885AURKA 3221/4885

“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.