SCHEMBL4043398

SCHEMBL4043398

COc1cc2c(cc1OCCCN1CCOCC1)Cc1c-2n[nH]c1Nc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.60
PDGFRB P09619 1/20 0.50
KDR P35968 4/20 0.47
SRC P12931 3/20 0.47
EGFR P00533 4/20 0.46
CIT O14578 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
ABCC4 O15439 1/20 0.45
DAPK3 O43293 1/20 0.45
RIPK2 O43353 1/20 0.45
NR1I2 O75469 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK17B O94768 1/20 0.45
STK10 O94804 1/20 0.45
PRKD3 O94806 1/20 0.45
ABCB11 O95342 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL4045426 0.94 CHEK1 (0.55) CHEK1PDGFRBKDRSRCEGFR
SCHEMBL4046659 0.92 CHEK1 (0.61) CHEK1PDGFRBKDRSRCEGFR
SCHEMBL4046499 0.91 CHEK1 (0.60) CHEK1PDGFRBKDRSRCEGFR
SCHEMBL4046123 0.91 CHEK1 (0.60) CHEK1PDGFRBKDRSRCEGFR
SCHEMBL4042157 0.89 EGFR (0.59) CHEK1KDRSRCEGFRCIT
SCHEMBL4045484 0.88 CHEK1 (0.57) CHEK1PDGFRBKDRSRCEGFR
SCHEMBL4048838 0.88 CHEK1 (0.60) CHEK1KDRSRC
SCHEMBL4041506 0.86 EGFR (0.50) CHEK1KDRSRCEGFRMAPT
SCHEMBL4046830 0.85 PDGFRB (0.56) CHEK1PDGFRBKDRSRCABL1
SCHEMBL4042638 0.85 CHEK1 (0.55) CHEK1PDGFRBKDRSRCABCB1

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 2/4885KDR 56/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CHEK1 151/4885PDGFRB 2/4885KDR 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.