SCHEMBL1888086

SCHEMBL1888086

Nc1ccc(C(c2c[nH]c3ncc(Br)cc23)S(=O)(=O)c2ccccc2)c(F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
INSR P06213 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
IGF1R P08069 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
PHKG2 P15735 1/20 0.41
FER P16591 1/20 0.41
FLT1 P17948 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL1884464 0.77 CYP3A4 (0.51) KDRFLT3CYP2C9
SCHEMBL1266809 0.71 JAK2 (0.43) JAK2GSK3BNTRK1METPIK3CD
SCHEMBL1268012 0.68 MET (0.47) ROCK2PRKD3MAP4K4CDK2FLT3
SCHEMBL1266831 0.67 JAK2 (0.41) JAK2CDK2GSK3BNTRK1MET
SCHEMBL12096290 0.67 CYP2C19 (0.47) PLK4AURKAJAK2ROCK2PRKD3
SCHEMBL16913783 0.67 MET (0.62) PLK4AURKAJAK2ROCK2PRKD3
SCHEMBL1267014 0.67 CYP3A4 (0.51) ROCK2PRKD3MAP4K4FLT1CDK2
SCHEMBL299150 0.66 CYP2C9 (0.45) PLK4AURKAJAK2ROCK2PRKD3
SCHEMBL1357877 0.65 JAK2 (0.38) PLK4AURKAJAK2ROCK2PRKD3
SCHEMBL859210 0.64 PRKD3 (0.49) PLK4AURKAJAK2ROCK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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 (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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF PLK4 458/4885AURKA 403/4885JAK2 15/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF PLK4 458/4885AURKA 403/4885JAK2 15/4885

“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.