SCHEMBL1774147

SCHEMBL1774147

CSc1ccc(Nc2ncc(Br)c(NCCO)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.53
STK17B O94768 1/20 0.53
CDK1 P06493 9/20 0.50
CDK2 P24941 8/20 0.50
CCNB1 P14635 4/20 0.50
CCNE1 P24864 4/20 0.50
CA2 P00918 5/20 0.47
KDR P35968 5/20 0.47
IGF1R P08069 2/20 0.47
CDK4 P11802 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNH P51946 1/20 0.46
SYK P43405 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4027058 0.83 CDK1 (0.73) STK17ASTK17BCDK1CDK2CCNB1
SCHEMBL13648517 0.82 CDK1 (0.55) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL1774326 0.81 CDK1 (0.69) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL1774325 0.81 CDK1 (0.69) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL14112874 0.80 CDK1 (0.68) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL2936141 0.80 IGF1R (0.76) STK17ACDK1CDK2CCNB1CCNE1
SCHEMBL4061169 0.80 CA2 (0.70) STK17ASTK17BCDK1CDK2CCNB1
SCHEMBL13648522 0.80 IGF1R (0.53) STK17AIGF1RMAPTKMT2ATNK2
SCHEMBL13648505 0.79 CDK1 (0.55) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL14112837 0.79 CDK1 (0.65) STK17ASTK17BCDK1CDK2CCNB1

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 11 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
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-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 STK17A 87/4885STK17B 100/4885CDK1 160/4885

“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.