SCHEMBL3932235

SCHEMBL3932235

CC(=O)n1ncc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
IKBKE Q14164 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
HSD11B1 P28845 1/20 0.44
NR3C1 P04150 9/20 0.40
CXCR2 P25025 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CXCR1 P25024 1/20 0.38
SHMT2 P34897 1/20 0.37
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.36

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
SCHEMBL14514301 0.78 CHEK1 (0.61) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4009089 0.78 CHEK1 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27661379 0.75 CHEK1 (0.57) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL26131443 0.74 CHEK1 (0.59) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3917675 0.73 SRD5A2 (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17373903 0.73 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29928396 0.73 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL16022261 0.73 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL8356173 0.72 CHEK1 (0.65) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4056753 0.72 CA1 (0.51) HSD11B1CXCR2CA1CA2CXCR1

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
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 WO disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 CHEK1 43/4885AURKA 553/4885DAPK3 33/4885

“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.