SCHEMBL4043059

SCHEMBL4043059

COc1ccc(OC)c(Nc2[nH]nc3c2Cc2cc(OCCCN(C)C)ccc2-3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.45
HRH3 Q9Y5N1 1/20 0.43
PDGFRB P09619 2/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
IGF1R P08069 1/20 0.37
MAPK8 P45983 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALPL P05186 1/20 0.37
CLK1 P49759 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4052115 0.88 PDGFRB (0.47) CHEK1PDGFRBKMT2AMEN1NPC1
SCHEMBL4211398 0.83 HRH3 (0.43) CHEK1HRH3PLK1KMT2AMEN1
SCHEMBL4044716 0.81 PDGFRB (0.47) CHEK1PDGFRBKMT2AMEN1KDM4E
SCHEMBL4044321 0.81 EGFR (0.43) CHEK1PDGFRBFGFR1KDRKMT2A
SCHEMBL4043029 0.81 HRH3 (0.45) CHEK1HRH3PDGFRBKMT2AMEN1
SCHEMBL4042554 0.81 CHEK1 (0.51) CHEK1PDGFRBKMT2AMEN1MAPT
SCHEMBL4048672 0.80 HIF1A (0.47) CHEK1PDGFRBKMT2AMEN1NPC1
SCHEMBL4047919 0.79 HRH3 (0.43) CHEK1HRH3PDGFRBKITFGFR1
SCHEMBL4040342 0.79 HRH3 (0.43) CHEK1HRH3PDGFRBKITFGFR1
SCHEMBL4045291 0.79 HRH3 (0.43) CHEK1HRH3PDGFRBFGFR1KDR

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 10 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
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO 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 CHEK1 152/4885HRH3 775/4885PDGFRB 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.