SCHEMBL4041668

SCHEMBL4041668

Cc1ccc2c(c1)-c1n[nH]c(Nc3ccc(OC(F)(F)F)cc3)c1C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
DHODH Q02127 1/20 0.41
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
IDH1 O75874 2/20 0.38
PDGFRB P09619 2/20 0.37
HIF1A Q16665 1/20 0.36
GPR3 P46089 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
EPHX2 P34913 2/20 0.34
ACHE P22303 1/20 0.34
TRPA1 O75762 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL4040474 0.89 PDGFRB (0.48) CHEK1DHODHKITFLT1KDR
SCHEMBL4044889 0.87 HIF1A (0.48) CHEK1PDGFRBHIF1AACHE
SCHEMBL4044890 0.86 CHEK1 (0.49) CHEK1FLT1KDRPDGFRBABL1
SCHEMBL4041878 0.85 PDGFRB (0.48) CHEK1DHODHIDH1PDGFRBHIF1A
SCHEMBL4047143 0.84 CHEK1 (0.42) CHEK1DHODHKITFLT1KDR
SCHEMBL4046071 0.83 CHEK1 (0.42) CHEK1DHODHKITFLT1KDR
SCHEMBL4043790 0.82 ACHE (0.47) CHEK1KDRPDGFRBHIF1AACHE
SCHEMBL4048574 0.80 DHODH (0.42) CHEK1DHODHABL1BCR
SCHEMBL4043700 0.79 PDGFRB (0.50) KITFLT1KDRPDGFRB
SCHEMBL4047352 0.79 PDGFRB (0.48) CHEK1DHODHPDGFRBHIF1AACHE

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
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
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 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
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO 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 CHEK1 152/4885DHODH 1704/4885KIT 19/4885

“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.