SCHEMBL4043939

SCHEMBL4043939

c1ccc(Nc2[nH]nc3c2CCOc2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPY5R Q15761 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDGFRB P09619 2/20 0.36
MAPT P10636 3/20 0.36
HIF1A Q16665 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
PRKCA P17252 1/20 0.35
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL3075777 0.78 GSR (0.52) KDM4EALDH1A1PDGFRBMAPTABL1
SCHEMBL4045943 0.73 PDGFRB (0.57) PDGFRBHIF1AEGFRMAPK10
SCHEMBL31060845 0.73 PDGFRB (0.57) PDGFRBHIF1AEGFRMAPK10
SCHEMBL4041500 0.73 GRM4 (0.39) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4051009 0.69 ACHE (0.44) ALPLKDM4EALDH1A1HSD17B10PDGFRB
SCHEMBL4043886 0.67 PDGFRB (0.63) HSD17B10PDGFRBHIF1ALMNAALOX15
SCHEMBL15387773 0.65 KMT2A (0.43) ALDH1A1HSD17B10MEN1KMT2APDGFRB
SCHEMBL7119156 0.65 MEN1 (0.42) ALPLKDM4EALDH1A1HSD17B10NPY5R
SCHEMBL4045623 0.65 PDGFRB (0.42) KDM4EPDGFRBMAPTEGFRCSNK2A1
SCHEMBL4050596 0.65 ACHE (0.47) ALDH1A1HSD17B10MEN1KMT2APDGFRB

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 ALPL 3611/4885KDM4E 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.