SCHEMBL6017653

SCHEMBL6017653

CCOC(=O)CCCNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F9 P00740 1/20 0.35
LMNA P02545 1/20 0.34
TBXAS1 P24557 3/20 0.34
BRD4 O60885 3/20 0.34
DRD3 P35462 1/20 0.33
ABL1 P00519 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
SCHEMBL5036238 0.94 MET (0.45) METCDK9MAPTMEN1KMT2A
SCHEMBL5140307 0.91 MET (0.45) METCDK9ALDH1A1MAPTMEN1
SCHEMBL5037640 0.89 MET (0.45) METCDK9MAPK1ALDH1A1MAPT
SCHEMBL5037648 0.88 MET (0.43) METCDK9MAPK1MEN1KMT2A
SCHEMBL5035937 0.88 MET (0.43) METCDK9MAPK1ALDH1A1MAPT
SCHEMBL5037649 0.88 ABL1 (0.44) METCDK9ABL1
SCHEMBL5040866 0.87 MET (0.43) METCDK9MAPK1ALDH1A1MAPT
SCHEMBL5043076 0.87 MEN1 (0.44) METCDK9MAPK1ALDH1A1MAPT
SCHEMBL5040816 0.87 MET (0.42) METCDK9MAPK1ALDH1A1MAPT
SCHEMBL5037709 0.87 MET (0.41) METCDK9MAPK1CYP2D6F9

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
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
US-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2004-11-04 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 (2 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 136/4885MAPK1 2710/4885
US-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest UPF1, DCLRE1B, SNRPA1 MET 2432/4885CDK9 2790/4885MAPK1 4866/4885

“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.