SCHEMBL4050672

SCHEMBL4050672

OCC(O)COc1cccc2c1Cc1c-2n[nH]c1NCc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF2AK1 Q9BQI3 6/20 0.52
CHEK1 O14757 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C19 P33261 1/20 0.35
AGTR1 P30556 1/20 0.34
LMNA P02545 1/20 0.34
MAPK14 Q16539 3/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.33
SMOX Q9NWM0 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL4048807 0.83 EIF2AK1 (0.73) EIF2AK1CHEK1
SCHEMBL4044898 0.77 MAPK14 (0.46) EIF2AK1CHEK1MEN1KMT2ACYP1A2
SCHEMBL4041128 0.77 MAPK14 (0.39) EIF2AK1CHEK1MEN1KMT2ACYP1A2
SCHEMBL4044629 0.75 EIF2AK1 (0.62) EIF2AK1CHEK1
SCHEMBL4044806 0.74 EIF2AK1 (0.34) EIF2AK1MEN1KMT2ALMNAMAPK14
SCHEMBL4048520 0.73 EIF2AK1 (0.61) EIF2AK1CHEK1
SCHEMBL4042320 0.70 EIF2AK1 (0.47) EIF2AK1KDM1A
SCHEMBL4044259 0.70 EIF2AK1 (0.54) EIF2AK1CHEK1
SCHEMBL4044488 0.69 ALDH1A1 (0.35) CHEK1MEN1KMT2AHTTKDM4E
SCHEMBL4049927 0.69 EIF2AK1 (0.39) EIF2AK1CHEK1MEN1KMT2AHTT

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 EIF2AK1 2531/4885CHEK1 152/4885MEN1 2796/4885

“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.