SCHEMBL541570

SCHEMBL541570

O=C(c1cnc(NC2CC2)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.43
CXCR4 P61073 1/20 0.42
SCD O00767 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPK8 P45983 3/20 0.38
MAPK9 P45984 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CDK1 P06493 5/20 0.38
ULK1 O75385 1/20 0.38
MERTK Q12866 1/20 0.38
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CDK2 P24941 4/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL541569 0.91 CXCR4 (0.42) SYKCXCR4SCDLRRK2MAPK8
SCHEMBL13142130 0.87 CXCR4 (0.40) SYKCXCR4SCDMAPK8MAPK9
SCHEMBL12796665 0.86 SYK (0.42) SYKCXCR4SCDALOX5APFEN1
SCHEMBL12796694 0.85 CXCR4 (0.39) SYKCXCR4SCDALOX5APFEN1
SCHEMBL12796668 0.85 SYK (0.42) SYKCXCR4SCD
SCHEMBL10145905 0.84 KDR (0.41) SYKCXCR4SCD
SCHEMBL10145269 0.84 KDR (0.41) SYKCXCR4SCD
SCHEMBL541560 0.84 CXCR4 (0.40) SYKCXCR4SCDALOX5APFEN1
SCHEMBL12796620 0.84 CXCR4 (0.38) SYKCXCR4SCDLRRK2ALOX5AP
SCHEMBL12796079 0.84 CXCR4 (0.40) SYKCXCR4SCDALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SYK 2005/4885CXCR4 350/4885SCD 1093/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SYK 1240/4885CXCR4 206/4885SCD 1251/4885

“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.