SCHEMBL4047538

SCHEMBL4047538

CN(C)CCCOc1cccc2c1Cc1c-2n[nH]c1Nc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.39
CHEK1 O14757 2/20 0.36
PDGFRB P09619 1/20 0.36
HTR1B P28222 1/20 0.36
CACNA1H O95180 2/20 0.35
FLT3 P36888 2/20 0.34
DYRK3 O43781 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
PRKCD Q05655 1/20 0.34
DYRK1A Q13627 1/20 0.34
PKN2 Q16513 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34

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
SCHEMBL4046585 0.92 PDGFRB (0.43) CACNA1BCHEK1PDGFRBHTR1B
SCHEMBL4043884 0.92 PDGFRB (0.39) CACNA1BCHEK1PDGFRBHTR1BCACNA1H
SCHEMBL13145876 0.87 PDGFRB (0.38) CACNA1BCHEK1PDGFRBHTR1BFLT3
SCHEMBL4052012 0.86 HIF1A (0.43) CACNA1BCHEK1PDGFRBCDK1
SCHEMBL4046728 0.86 SGMS2 (0.36) CACNA1BCHEK1PDGFRBHTR1BFLT3
SCHEMBL4048781 0.86 PLK1 (0.40) CHEK1PDGFRBFLT3CDK1KDR
SCHEMBL4366459 0.82 PDGFRB (0.52) CHEK1PDGFRBGSK3AGSK3BCLK4
SCHEMBL4049263 0.82 PDGFRB (0.43) CHEK1PDGFRB
SCHEMBL4043029 0.81 HRH3 (0.45) CACNA1BCHEK1PDGFRBCACNA1H
SCHEMBL4045621 0.78 KDR (0.39) PDGFRBCDK2GSK3AGSK3BCSNK1G1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CACNA1B 2147/4885CHEK1 152/4885PDGFRB 2/4885

“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.