SCHEMBL1590726

SCHEMBL1590726

CC1CN(c2nc(Nc3ccc(S(C)(=O)=O)cc3)c3ncn(-c4cscn4)c3n2)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PIK3CA P42336 1/20 0.35
SYK P43405 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT3 P36888 4/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
TRPV1 Q8NER1 2/20 0.33
LCK P06239 2/20 0.33
JAK3 P52333 2/20 0.33
SRC P12931 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
BTK Q06187 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
SCHEMBL1590513 0.90 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590512 0.90 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1591275 0.86 SRC (0.46) CSNK1DCSNK1ECDK13CDK12PIK3CA
SCHEMBL1590587 0.86 CSNK1D (0.51) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL3590041 0.83 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1591536 0.83 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12FLT3
SCHEMBL1591535 0.83 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12FLT3
SCHEMBL1591130 0.82 CSNK1D (0.45) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590813 0.82 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1591506 0.80 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12PIK3CA

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 14 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
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP claimed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US claimed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 WO 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.