SCHEMBL4042782

SCHEMBL4042782

COc1cc2c(cc1OCCCN1CCN(C)CC1)Cc1c-2n[nH]c1Nc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.54
PDGFRB P09619 2/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK7 P50613 1/20 0.53
CSNK1G2 P78368 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
AXL P30530 1/20 0.42

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
SCHEMBL3090402 0.96 CHEK1 (0.54) CHEK1PDGFRBABL1LCKFYN
SCHEMBL4046499 0.94 CHEK1 (0.60) CHEK1PDGFRBABL1LCKFYN
SCHEMBL4042638 0.91 CHEK1 (0.55) CHEK1PDGFRBSRCKDR
SCHEMBL4045426 0.90 CHEK1 (0.55) CHEK1PDGFRBFYNFGFR1SRC
SCHEMBL4049508 0.89 PDGFRB (0.57) CHEK1PDGFRBABL1LCKFYN
SCHEMBL4040259 0.88 PDGFRB (0.56) CHEK1PDGFRBABL1LCKFYN
SCHEMBL4047676 0.87 CSF1R (0.54) CHEK1ABL1LCKSRCFLT4
SCHEMBL4046415 0.87 CHEK1 (0.55) CHEK1PDGFRBSRCKDR
SCHEMBL3090684 0.87 PDGFRB (0.67) CHEK1PDGFRBABL1LCKFYN
SCHEMBL4043475 0.87 CHEK1 (0.52) CHEK1PDGFRBABL1LCKFYN

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 11 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
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO 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
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

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-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CHEK1 152/4885PDGFRB 2/4885ABL1 13/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CHEK1 151/4885PDGFRB 2/4885ABL1 13/4885

“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.