SCHEMBL1590813

SCHEMBL1590813

CC1(C)CN(c2nc(Nc3ccc(S(C)(=O)=O)cc3)c3ncn(-c4cscn4)c3n2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
ABL1 P00519 4/20 0.37
FLT3 P36888 6/20 0.35
SYK P43405 1/20 0.34
PTGS2 P35354 1/20 0.34
SRC P12931 3/20 0.33
PDGFRA P16234 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR2 P21802 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHB2 P29323 1/20 0.33

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
SCHEMBL1590587 0.88 CSNK1D (0.51) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1590512 0.84 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1590513 0.84 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1590726 0.82 CSNK1D (0.38) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL3590041 0.82 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591130 0.81 CSNK1D (0.45) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591535 0.77 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591536 0.77 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591506 0.74 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1590602 0.73 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US claimed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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 (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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN CSNK1D 812/4885CSNK1E 500/4885CDK13 1128/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK CSNK1D 1542/4885CSNK1E 1264/4885CDK13 405/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN CSNK1D 812/4885CSNK1E 500/4885CDK13 1128/4885

“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.