SCHEMBL4046728

SCHEMBL4046728

CN(C)CCCOc1cccc2c1Cc1c-2n[nH]c1Nc1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.36
CHEK1 O14757 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PDGFRB P09619 2/20 0.34
HTR1B P28222 1/20 0.34
PLK1 P53350 3/20 0.33
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
EGFR P00533 1/20 0.33
FLT3 P36888 2/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32

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 0.89 PDGFRB (0.43) CHEK1PDGFRBHTR1BCACNA1B
SCHEMBL13145876 0.86 PDGFRB (0.38) CHEK1PDGFRBHTR1BPLK1EGFR
SCHEMBL4047538 0.86 CACNA1B (0.39) CHEK1PDGFRBHTR1BCDK2GSK3B
SCHEMBL4043884 0.85 PDGFRB (0.39) CHEK1PDGFRBHTR1BCDK2GSK3B
SCHEMBL4048781 0.85 PLK1 (0.40) CHEK1PDGFRBPLK1EGFRFLT3
SCHEMBL4052012 0.85 HIF1A (0.43) CHEK1PDGFRBPLK1EGFRCACNA1B
SCHEMBL4047051 0.83 PDGFRB (0.49) SGMS2CHEK1PDGFRBLMNA
SCHEMBL4040342 0.82 HRH3 (0.43) CHEK1CHRNB2CHRNA4PDGFRBPLK1
SCHEMBL4049263 0.81 PDGFRB (0.43) CHEK1PDGFRBPRKACALMNA
SCHEMBL4042720 0.78 METAP2 (0.39) CDK2TDP2NSD2ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SGMS2 4690/4885CHEK1 152/4885CHRNB2 4497/4885

“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.