SCHEMBL4050325

SCHEMBL4050325

CCOc1cccc(Nc2[nH]nc3c2Cc2cc(OCC)c(OCC)cc2-3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 10/20 0.48
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL4043228 0.94 PDGFRB (0.56) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL4044016 0.94 PDGFRB (0.56) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL4040400 0.93 PDGFRB (0.42) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL4042948 0.92 PDGFRB (0.43) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL13145442 0.90 PDGFRB (0.53) PDGFRBABL1LCKFYNFGFR1
SCHEMBL5789718 0.89 PDGFRB (0.40) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL13145425 0.89 PDGFRB (0.40) PDGFRBABL1LCKFYNFGFR1
SCHEMBL4043338 0.89 PDGFRB (0.53) PDGFRBABL1LCKFYNFGFR1
SCHEMBL4045228 0.88 PDGFRB (0.49) PDGFRBKDM4EALDH1A1POLBMAPT
SCHEMBL4042760 0.87 PDGFRB (0.49) PDGFRBABL1LCKFYNFGFR1

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 PDGFRB 2/4885KDM4E 2367/4885ALDH1A1 1360/4885

“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.