SCHEMBL5037741

SCHEMBL5037741

O=C(NCC1CCNCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ABL1 P00519 1/20 0.38
MMP1 P03956 5/20 0.36
MET P08581 1/20 0.36
CDK9 P50750 1/20 0.36
CD38 P28907 2/20 0.35
ESR1 P03372 1/20 0.35
CYP19A1 P11511 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS2 P35228 1/20 0.34
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
JAK3 P52333 1/20 0.33
ROCK1 Q13464 1/20 0.33
FLT3 P36888 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
SCHEMBL7049093 0.89 KDM4E (0.38) MMP1LMNAMAPK1
SCHEMBL5037649 0.86 ABL1 (0.44) ABL1METCDK9
SCHEMBL5035937 0.86 MET (0.43) ABL1MMP1METCDK9LMNA
SCHEMBL5040866 0.85 MET (0.43) ABL1MMP1METCDK9LMNA
SCHEMBL5043085 0.85 NPC1 (0.41) MMP1CD38ESR1CYP19A1ESR2
SCHEMBL5037979 0.85 NPC1 (0.43) MMP1METCDK9ESR1CYP19A1
SCHEMBL5140451 0.85 MET (0.39) MMP1METCDK9LMNAMAPK1
SCHEMBL5033520 0.85 NAMPT (0.42) MMP1METCDK9LMNANOS2
SCHEMBL5037640 0.84 MET (0.45) ABL1MMP1METCDK9LMNA
SCHEMBL5140492 0.84 NAMPT (0.44) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 GSK3A 3550/4885GSK3B 3006/4885ABL1 83/4885

“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.