SCHEMBL4041500

SCHEMBL4041500

c1ccc(Nc2[nH]nc3c2CCc2sccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
PIM1 P11309 3/20 0.36
AURKA O14965 2/20 0.36
KDR P35968 2/20 0.36
PAK4 O96013 2/20 0.36
CHEK1 O14757 2/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL4051376 0.87 PDGFRB (0.43) GRM4KDRPAK4CHEK1ABL1
SCHEMBL3075777 0.80 GSR (0.52) AURKAKDRMAPK8MAPK9DYRK1A
SCHEMBL4044303 0.74 PDGFRB (0.39) PIM1PDGFRBGAAMAPTALDH1A1
SCHEMBL4043939 0.73 ALPL (0.46) PIM1FLT3DYRK1ADYRK1BABL1
SCHEMBL4039224 0.73 EGFR (0.44) PDGFRAABL1EGFRSRCPRKCA
SCHEMBL4044342 0.73 KDR (0.40) GRM4PIM1KDRPDGFRACSNK1A1
SCHEMBL31060845 0.72 PDGFRB (0.57) KDRCHEK1MAPK8MAPK9EGFR
SCHEMBL4045943 0.72 PDGFRB (0.57) KDRCHEK1MAPK8MAPK9EGFR
SCHEMBL4049038 0.70 HIF1A (0.47) GRM4PIM1ABL1EGFRSRC
SCHEMBL4051009 0.69 ACHE (0.44) KDRCLK4ABL1EGFRSRC

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 8 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-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 GRM4 3532/4885PIM1 731/4885AURKA 137/4885

“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.