SCHEMBL5042894

SCHEMBL5042894

O=C(NCCN1CCCCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PRMT3 O60678 1/20 0.38
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD3 P35462 3/20 0.38
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
CD38 P28907 1/20 0.36
MMP1 P03956 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL5042872 0.99 MET (0.40) METCDK9HRH3PRMT3NAMPT
SCHEMBL5036703 0.95 DRD3 (0.42) METCDK9HRH3DRD3CHEK1
SCHEMBL5040744 0.94 CYP1A2 (0.45) METCDK9PRMT3NAMPTKDM4E
SCHEMBL5035937 0.90 MET (0.43) METCDK9CYP2D6CYP3A4MMP1
SCHEMBL5036073 0.90 DRD3 (0.44) METCDK9NAMPTKDM4EDRD3
SCHEMBL5040866 0.89 MET (0.43) METCDK9CYP2D6CYP3A4MMP1
SCHEMBL7188904 0.89 NAMPT (0.38) METCDK9HRH3NAMPTDRD3
SCHEMBL5037640 0.88 MET (0.45) METCDK9DRD3CYP2D6CYP3A4
SCHEMBL5043076 0.87 MEN1 (0.44) METCDK9KDM4ECYP1A2CYP2D6
SCHEMBL5033757 0.87 MET (0.42) METCDK9CD38

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-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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO 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 MET 294/4885CDK9 136/4885HRH3 20/4885

“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.