SCHEMBL4044113

SCHEMBL4044113

COc1ccc(OC)c(Nc2[nH]nc3c2Cc2ccc(C)cc2-3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
CHEK1 O14757 4/20 0.43
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDGFRB P09619 4/20 0.41
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.38
JAK2 O60674 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4044716 0.93 PDGFRB (0.47) KMT2AMEN1CHEK1LMNAMAPT
SCHEMBL4042554 0.90 CHEK1 (0.51) KMT2AMEN1CHEK1LMNAMAPT
SCHEMBL4052115 0.89 PDGFRB (0.47) KMT2AMEN1ALPLCHEK1LMNA
SCHEMBL4048672 0.87 HIF1A (0.47) KMT2AMEN1CHEK1POLBLMNA
SCHEMBL4044889 0.84 HIF1A (0.48) KMT2AMEN1CHEK1LMNAMAPT
SCHEMBL4045624 0.84 PDGFRB (0.47) KMT2AMEN1CHEK1HTTMAPT
SCHEMBL4044321 0.84 EGFR (0.43) KMT2AMEN1ALPLCHEK1LMNA
SCHEMBL6247545 0.84 PDGFRB (0.44) KMT2AMEN1CHEK1MAPTPDGFRB
SCHEMBL4048794 0.82 POLB (0.44) KMT2AMEN1CHEK1POLBHTT
SCHEMBL4043471 0.81 PDGFRB (0.39) KMT2AMEN1CHEK1LMNAMAPT

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
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 KMT2A 2557/4885MEN1 2796/4885ALPL 3611/4885

“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.