SCHEMBL4043976

SCHEMBL4043976

COc1cc2c(cc1OCC(O)CN1CCCC1)Cc1c-2n[nH]c1NCc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF2AK1 Q9BQI3 7/20 0.51
CHEK1 O14757 9/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4041632 0.92 EIF2AK1 (0.59) EIF2AK1CHEK1MEN1USP2HTT
SCHEMBL4047093 0.91 EIF2AK1 (0.43) EIF2AK1CHEK1MEN1KMT2A
SCHEMBL4044629 0.89 EIF2AK1 (0.62) EIF2AK1CHEK1
SCHEMBL4041266 0.86 EIF2AK1 (0.49) EIF2AK1CHEK1MEN1KMT2A
SCHEMBL4041921 0.85 EIF2AK1 (0.68) EIF2AK1CHEK1
SCHEMBL4044233 0.83 PDGFRB (0.49) EIF2AK1CHEK1CYP1A2CYP2D6
SCHEMBL4039695 0.82 EIF2AK1 (0.58) EIF2AK1CHEK1
SCHEMBL4045375 0.81 EGFR (0.52) EIF2AK1CHEK1CYP1A2CYP2D6
SCHEMBL4048807 0.81 EIF2AK1 (0.73) EIF2AK1CHEK1
SCHEMBL13145433 0.80 PDGFRB (0.49) EIF2AK1CHEK1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP 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-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA EIF2AK1 2562/4885CHEK1 151/4885MEN1 3107/4885

“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.