SCHEMBL2616799

SCHEMBL2616799

CCCCc1nccc(N2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SORD Q00796 15/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
CXCR4 P61073 1/20 0.47
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14554003 0.91 SORD (0.54) SORDHRH4CXCR4NPY5R
SCHEMBL28125284 0.87 HRH4 (0.63) SORDHRH4
SCHEMBL14525065 0.85 SORD (0.49) SORDPDE4APDE4BPDE4CPDE4D
SCHEMBL6224825 0.85 HRH3 (0.54) SORDHRH4KDM4E
SCHEMBL15121155 0.84 SORD (0.57) SORDHRH4CXCR4
SCHEMBL2616793 0.83 SORD (0.47) SORDPDE4APDE4BPDE4CPDE4D
SCHEMBL20098856 0.82 SORD (0.59) SORDHRH4CXCR4
SCHEMBL4113998 0.81 SORD (0.48) SORDHRH4
SCHEMBL3640716 0.81 HRH3 (0.52) SORDHRH4KDM4E
SCHEMBL31376325 0.79 SORD (0.51) SORDHRH4CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK SORD 2239/4885PDE4A 559/4885PDE4B 949/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 SORD 2448/4885PDE4A 484/4885PDE4B 827/4885

“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.