SCHEMBL2937221

SCHEMBL2937221

CSc1cccc(Nc2ncc(Br)c(NC(C)C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.54
CDK1 P06493 11/20 0.54
CDK2 P24941 11/20 0.54
SYK P43405 2/20 0.52
IGF1R P08069 5/20 0.49
PTK2 Q05397 2/20 0.46
MAP4K4 O95819 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
CSF1R P07333 2/20 0.44
RET P07949 2/20 0.44
PDGFRB P09619 2/20 0.44
FGFR1 P11362 2/20 0.44
MAPK8 P45983 2/20 0.44
LIMK1 P53667 2/20 0.44
ACVR1 Q04771 2/20 0.44
MST1R Q04912 2/20 0.44
BTK Q06187 2/20 0.44
TNK2 Q07912 2/20 0.44
LRRK2 Q5S007 2/20 0.44

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
SCHEMBL13463130 0.87 KDR (0.59) KDRCDK1CDK2SYKIGF1R
SCHEMBL2938897 0.85 CDK1 (0.65) KDRCDK1CDK2IGF1RCCNB1
Hydrochloric Acid SCHEMBL3581945 0.84 CDK1 (0.63) KDRCDK1CDK2IGF1RCCNB1
SCHEMBL2938043 0.81 SYK (0.51) CDK1CDK2SYKIGF1RPTK2
SCHEMBL13648484 0.81 CDK1 (0.71) KDRCDK1CDK2SYKIGF1R
SCHEMBL13655130 0.79 CDK1 (0.59) KDRCDK1CDK2SYKIGF1R
SCHEMBL14163347 0.75 CDK1 (0.54) KDRCDK1CDK2SYKCCNB1
SCHEMBL14112831 0.75 CDK1 (0.54) KDRCDK1CDK2SYKCCNB1
SCHEMBL4738138 0.75 KDR (0.66) KDRCDK1CDK2SYKIGF1R
SCHEMBL4738131 0.75 KDR (0.66) KDRCDK1CDK2SYKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943629-B2 Anticancer/antitumor agents; S-(4-([4-([(1R,2R)-2-Hydroxy-1-methylpropyl]amino)-5-(trifluoromethyl)-pyrimidin-2-yl]amino)phenyl)-S-methyl-N-[(trifluoromethyl)sulphonyl]-sulphimide for example BAYER SCHERING PHARMA AG (DE) 2011-05-17 US disclosed
US-7943629-B2 Anticancer/antitumor agents; S-(4-([4-([(1R,2R)-2-Hydroxy-1-methylpropyl]amino)-5-(trifluoromethyl)-pyrimidin-2-yl]amino)phenyl)-S-methyl-N-[(trifluoromethyl)sulphonyl]-sulphimide for example BAYER SCHERING PHARMA AG (DE) 2011-05-17 US disclosed
EP-2029552-B1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-09-22 EP disclosed
EP-2029552-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-03-04 EP disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 WO disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 WO 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-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS PRKCE, BRAF, PACSIN2 KDR 1439/4885CDK1 160/4885CDK2 49/4885

“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.