SCHEMBL4043847

SCHEMBL4043847

COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(C(=O)NCCCN4CCCC4)c3)c1C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.48
CHEK1 O14757 3/20 0.48
PDGFRB P09619 1/20 0.47
ATM Q13315 1/20 0.46
MCHR1 Q99705 2/20 0.46
MCHR2 Q969V1 1/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 3/20 0.46
SMYD2 Q9NRG4 4/20 0.45
PARP1 P09874 2/20 0.45
DRD3 P35462 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRNA3 P32297 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
SCHEMBL4039166 0.87 PDGFRB (0.53) CHEK1PDGFRB
SCHEMBL4045008 0.87 PDGFRB (0.55) CHEK1PDGFRBCHRNA3
SCHEMBL4046415 0.81 CHEK1 (0.55) CHEK1PDGFRB
SCHEMBL4052100 0.81 PDGFRB (0.59) CHEK1PDGFRB
SCHEMBL4042792 0.81 PDGFRB (0.69) CHEK1PDGFRB
SCHEMBL4045484 0.81 CHEK1 (0.57) CHEK1PDGFRB
SCHEMBL4049577 0.81 PDGFRB (0.53) CHEK1PDGFRB
SCHEMBL3090402 0.80 CHEK1 (0.54) CHEK1PDGFRB
SCHEMBL4043941 0.80 PDGFRB (0.58) CHEK1PDGFRB
SCHEMBL4050270 0.79 PDGFRB (0.59) CHEK1PDGFRB

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 7 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
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 (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 SLC29A1 1753/4885CHEK1 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.