SCHEMBL4046659

SCHEMBL4046659

COc1cccc(Nc2[nH]nc3c2Cc2cc(OCCCN4CCOCC4)c(OC)cc2-3)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.61
SRC P12931 2/20 0.57
KDR P35968 1/20 0.57
PDGFRB P09619 1/20 0.49
EGFR P00533 1/20 0.45
MAP2K1 Q02750 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4042638 0.94 CHEK1 (0.55) CHEK1SRCKDRPDGFRB
SCHEMBL4046415 0.93 CHEK1 (0.55) CHEK1SRCKDRPDGFRB
SCHEMBL4046499 0.92 CHEK1 (0.60) CHEK1SRCKDRPDGFRBEGFR
SCHEMBL4043398 0.92 CHEK1 (0.60) CHEK1SRCKDRPDGFRBEGFR
SCHEMBL4046123 0.92 CHEK1 (0.60) CHEK1SRCKDRPDGFRBEGFR
SCHEMBL4045484 0.89 CHEK1 (0.57) CHEK1SRCKDRPDGFRBEGFR
SCHEMBL4048838 0.88 CHEK1 (0.60) CHEK1SRCKDRMAP2K1
SCHEMBL4045256 0.86 PDGFRB (0.56) CHEK1SRCKDRPDGFRB
SCHEMBL4042157 0.85 EGFR (0.59) CHEK1SRCKDREGFR
SCHEMBL3082714 0.85 PDGFRB (0.55) CHEK1SRCKDRPDGFRB

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 152/4885SRC 146/4885KDR 56/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CHEK1 151/4885SRC 138/4885KDR 52/4885

“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.