SCHEMBL2540264

SCHEMBL2540264

CC1CCC(Nc2ncc(C(c3c[nH]c4ncc(Cl)cc34)S(=O)(=O)c3ccccc3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
CDK7 P50613 6/20 0.35
CDK2 P24941 5/20 0.35
CDK9 P50750 5/20 0.35
CDC7 O00311 3/20 0.35
DAPK3 O43293 3/20 0.35
ROCK2 O75116 3/20 0.35
MAP4K4 O95819 3/20 0.35
PAK4 O96013 3/20 0.35
PRKACA P17612 3/20 0.35
FLT3 P36888 3/20 0.35
CLK2 P49760 3/20 0.35
GSK3B P49841 3/20 0.35
PRKX P51817 3/20 0.35
JAK3 P52333 3/20 0.35
CDK5 Q00535 3/20 0.35
MAP4K2 Q12851 3/20 0.35
STK3 Q13188 3/20 0.35
DYRK1A Q13627 3/20 0.35
PKN2 Q16513 3/20 0.35

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
SCHEMBL4512512 0.79 CYP2C9 (0.42) JAK2CDK7CDK2CDK9DAPK3
SCHEMBL1266809 0.77 JAK2 (0.43) JAK2GSK3BPIK3CAPIK3CDPIK3R1
SCHEMBL2541038 0.70 CYP2C9 (0.54) FLT3MAPK1ADORA1
SCHEMBL1266831 0.69 JAK2 (0.41) JAK2CDK2CDK9GSK3BPIK3CA
SCHEMBL2545189 0.69 PTGS2 (0.36) CDK7CDK2CDK9GSK3BJAK3
SCHEMBL14715718 0.68 KDM1A (0.32) GSK3BPIK3CA
SCHEMBL1882955 0.67 CYP3A4 (0.45) FLT3ADORA1
SCHEMBL2540266 0.67 CYP3A4 (0.42) CDK7CDK2PIK3CAAKT1MTOR
SCHEMBL1885533 0.66 CYP3A4 (0.48) FLT3DYRK1A
SCHEMBL3862095 0.64 LCK (0.37) JAK2PIK3CAROCK1MAPK1PIK3CD

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-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-8901118-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-02 US disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 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 (3 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-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC JAK2 90/4885CDK7 449/4885CDK2 1041/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 JAK2 70/4885CDK7 413/4885CDK2 974/4885
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 JAK2 72/4885CDK7 392/4885CDK2 1038/4885

“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.