SCHEMBL4047734

SCHEMBL4047734

Cc1cccc(CNc2[nH]nc3c2Cc2cc(F)ccc2-3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.40
CHEK1 O14757 4/20 0.40
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
TSHR P16473 4/20 0.39
CYP2C19 P33261 4/20 0.39
CLK4 Q9HAZ1 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KIT P10721 2/20 0.36
FLT1 P17948 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EIF2AK1 Q9BQI3 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4051961 0.86 CYP1A2 (0.40) KDRCHEK1CYP1A2CYP3A4CYP2D6
SCHEMBL4050640 0.83 CHEK1 (0.42) KDRCHEK1ACHE
SCHEMBL4223971 0.83 CHEK1 (0.42) KDRCHEK1EIF2AK1ACHE
SCHEMBL4040923 0.83 EIF2AK1 (0.48) KDRCHEK1MAPK1ALDH1A1KIT
SCHEMBL4042935 0.82 PDGFRB (0.46) KDRALOX15KITFLT1SMN1; SMN2
SCHEMBL4045374 0.82 EIF2AK1 (0.53) CHEK1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4048141 0.81 ACHE (0.38) KDRCHEK1KITFLT1EIF2AK1
SCHEMBL4043107 0.79 EIF2AK1 (0.52) KDRCHEK1FLT1EIF2AK1
SCHEMBL4046433 0.77 EIF2AK1 (0.42) KDRCHEK1LMNAALDH1A1FLT1
SCHEMBL4041843 0.77 CHEK1 (0.39) KDRCHEK1KITFLT1EIF2AK1

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 9 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
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
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 KDR 56/4885CHEK1 152/4885CYP1A2 2542/4885

“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.